SCHEMBL5381743

SCHEMBL5381743

COc1cc([N+](=O)[O-])ccc1OCCN1CCCC1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.56
▸ HTR2C P28335 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HRH2 P25021 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
SCHEMBL5388625 0.97 HRH3 (0.52) HRH3HTR2CMAPTSMN1; SMN2NPC1
SCHEMBL5389879 0.86 SMN1; SMN2 (0.47) HTR2CMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL3870460 0.86 SMN1; SMN2 (0.47) HTR2CMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL3860554 0.86 MCHR1 (0.51) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL3860546 0.86 MCHR1 (0.51) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL6204091 0.85 ALDH1A1 (0.45) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL5381533 0.84 MAPT (0.49) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL3863267 0.82 KDM4E (0.53) HTR2CMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL264564 0.81 LTA4H (0.57) HRH3MAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL5381777 0.81 LTA4H (0.54) HRH3MAPTSMN1; SMN2NPC1CYP1A2

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-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 — — US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 — — EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 — — US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 — — US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 — — EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 HRH3 714/4885HTR2C 434/4885MAPT 1587/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS HRH3 3756/4885HTR2C 4610/4885MAPT 2433/4885

“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.

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