SCHEMBL3428508

SCHEMBL3428508

CCNCCC(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
RIPK1 Q13546 1/20 0.50
TAAR1 Q96RJ0 3/20 0.47
AOC3 Q16853 2/20 0.47
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
KCNH2 Q12809 2/20 0.44
CYP3A4 P08684 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
SMPD1 P17405 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
CASR P41180 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11489646 0.89 GRIA4 (0.46) HTTRIPK1SMN1; SMN2
SCHEMBL14065107 0.86 RIPK1 (0.48) HTTRIPK1TAAR1AOC3SLC6A2
SCHEMBL11379167 0.85 SLC6A4 (0.41) HTTRIPK1TAAR1AOC3SLC6A2
SCHEMBL5999515 0.83 HRH1 (0.63) HTTSLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL11922992 0.83 KCNH2 (0.49) RIPK1TAAR1AOC3KCNH2CYP1A2
SCHEMBL14065005 0.82 TAAR1 (0.50) HTTRIPK1TAAR1AOC3SLC6A2
SCHEMBL19993113 0.81 HTT (0.41) HTTSLC6A2SLC6A4LMNAMEN1
SCHEMBL7609604 0.81 MEN1 (0.57) RIPK1KCNH2CHRM2MEN1KMT2A
SCHEMBL19905186 0.79 HTR2A (0.69) RIPK1TAAR1AOC3SLC6A2SLC6A4
SCHEMBL3430600 0.79 TAAR1 (0.61) HTTRIPK1TAAR1AOC3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1343024-A Organic amine used as additive in electrochemical battery MERCK PATENT GMBH (DE) 2002-04-03 CN claimed
EP-1187244-A2 Organic amines as additives for electrochemical cells MERCK PATENT GmbH (DE) 2002-03-13 EP claimed
US-20100323098-A1 ELECTRODE MATERIAL FOR RECHARGEABLE LITHIUM BATTERY, ELECTRODE STRUCTURAL BODY COMPRISING SAID ELECTRODE MATERIAL, RECHARGEABLE LITHIUM BATTERY HAVING SAID ELECTRODE STRUCTURAL BODY, PROCESS FOR THE PRODUCTION OF SAID ELECTRODE STRUCTURAL BODY, AND PROCESS FOR THE PRODUCTION OF SAID RECHARGEABLE LITHIUM BATTERY CANON KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-7803290-B2 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2010-09-28 US disclosed
US-20080090152-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structual body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2008-04-17 US disclosed
US-7316792-B2 Electrode material for rechargeable lithium battery and electrode structural body comprising said electrode material CANON KABUSHIKI KAISHA (JP) 2008-01-08 US disclosed
US-7141187-B2 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2006-11-28 US disclosed
US-20060237697-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2006-10-26 US disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030157407-A1 Electrode material for rechargeable lithium battery, electrode structural body comprising said electrode material, rechargeable lithium battery having said electrode structural body, process for the production of said electrode structural body, and process for the production of said rechargeable lithium battery CANON KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
EP-1313158-A2 Electrode material for rechargeable lithium battery, electrode comprising said electrode material, rechargeable lithium battery having said electrode , and process for the production thereof CANON KABUSHIKI KAISHA (JP) 2003-05-21 EP disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO disclosed
CN-1343024-A Organic amine used as additive in electrochemical battery MERCK PATENT GMBH (DE) 2002-04-03 CN disclosed
EP-1187244-A2 Organic amines as additives for electrochemical cells MERCK PATENT GmbH (DE) 2002-03-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 HTT 3925/4885RIPK1 4392/4885TAAR1 2085/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 HTT 3925/4885RIPK1 4392/4885TAAR1 2085/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.