SCHEMBL9973174

SCHEMBL9973174

Cc1ccccc1CCNCCNCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.60
▸ HTR2A P28223 3/20 0.49
▸ HRH1 P35367 3/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ CHRM2 P08172 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ SMPD1 P17405 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ TBXA2R P21731 1/20 0.45

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
SCHEMBL12342273 0.83 MTOR (0.56) KCNH2SIGMAR1LMNACHRM2CYP3A4
SCHEMBL21243271 0.82 CHRM2 (0.59) CHRM2HTR1AADRA1AMEN1KMT2A
SCHEMBL9973122 0.80 MEN1 (0.56) KCNH2LMNACHRM2MEN1KMT2A
SCHEMBL11796932 0.78 KCNH2 (0.76) KCNH2HTR2AHRH1SIGMAR1LMNA
Hydrochloric Acid SCHEMBL11794831 0.76 KCNH2 (0.73) KCNH2HTR2AHRH1SIGMAR1LMNA
SCHEMBL7351155 0.76 KCNH2 (0.58) KCNH2HTR2AHRH1SIGMAR1SLC6A4
SCHEMBL8172152 0.75 KCNH2 (1.00) KCNH2HTR2AHRH1SIGMAR1HTR1A
SCHEMBL20615042 0.75 CHRM2 (0.52) HTR2ASIGMAR1CHRM2SLC6A2MEN1
Hydrochloric Acid SCHEMBL11578856 0.74 KCNH2 (0.96) KCNH2HTR2AHRH1SIGMAR1CYP3A4
SCHEMBL9201570 0.74 CHRM2 (0.50) CHRM2MEN1KMT2AALOX12HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 — — US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 — — US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 — — US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 — — US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 — — US disclosed
WO-2007005896-A2 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. (US) 2007-01-11 — — WO 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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE KCNH2 3808/4885HTR2A 4049/4885HRH1 2247/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL KCNH2 2650/4885HTR2A 4182/4885HRH1 1648/4885

“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.

Send feedback