SCHEMBL3966077

SCHEMBL3966077

Cc1ccccc1CC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.56
SLC6A4 P31645 9/20 0.54
HTR2C P28335 4/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 2/20 0.50
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL28818269 0.89 SLC6A4 (0.48) GBA1SLC6A4HTR2CSLC6A2SLC6A3
SCHEMBL29889399 0.89 SLC6A4 (0.48) GBA1SLC6A4HTR2CSLC6A2SLC6A3
SCHEMBL27850987 0.86 ACHE (0.47) GBA1SLC6A4SLC6A2LMNACYP2D6
SCHEMBL3969439 0.86 HTR2C (0.53) GBA1SLC6A4HTR2CSLC6A2SLC6A3
Bromide SCHEMBL4039561 0.85 GBA1 (0.49) GBA1SLC6A4HTR2CSLC6A2SLC6A3
SCHEMBL19447557 0.82 ACHE (0.44)
SCHEMBL3086360 0.82 SLC6A4 (0.55) GBA1SLC6A4HTR2CSLC6A2SLC6A3
SCHEMBL23842761 0.81 KMT2A (0.44) SLC6A4SLC6A2SLC6A3LMNACYP2D6
SCHEMBL29945214 0.81 ACHE (0.43)
SCHEMBL16937323 0.81 ACHE (0.43)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
CN-100448846-C Method for catalytic hydrogenation of acyl pyridine to preparing substituted pyridine compound hydrochlorate UNIV TSINGHUA (CN) 2009-01-07 CN disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
US-6919355-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2005-07-19 US disclosed
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113361-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. 2003-10-23 US disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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 (6 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R GBA1 2652/4885SLC6A4 2513/4885HTR2C 716/4885
US-20050113361-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B GBA1 2951/4885SLC6A4 523/4885HTR2C 146/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B GBA1 4055/4885SLC6A4 675/4885HTR2C 151/4885
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C GBA1 4362/4885SLC6A4 570/4885HTR2C 150/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B GBA1 3025/4885SLC6A4 528/4885HTR2C 146/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C GBA1 3991/4885SLC6A4 1341/4885HTR2C 120/4885

“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.