SCHEMBL4938987

SCHEMBL4938987

CC1CNCCc2ccc(C(=O)NCCCc3ccccc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
NAMPT P43490 6/20 0.48
MLYCD O95822 1/20 0.46
ROCK2 O75116 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 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
SCHEMBL14282052 1.00 NPC1 (0.50) NPC1RAB9AKDM4EPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4938668 0.99 KDM4E (0.49) NPC1RAB9AKDM4EPOLBSMN1; SMN2
SCHEMBL14282051 0.94 NPC1 (0.49) NPC1RAB9ASMN1; SMN2OPRM1OPRD1
SCHEMBL4938963 0.94 NPC1 (0.49) NPC1RAB9ASMN1; SMN2OPRM1OPRD1
Hydrochloric Acid SCHEMBL4935811 0.93 L3MBTL1 (0.50) NPC1RAB9ASMN1; SMN2OPRM1OPRD1
SCHEMBL4932792 0.87 HTR2A (0.49) RAB9AOPRM1OPRD1OPRK1ROCK2
SCHEMBL14282049 0.87 HTR2A (0.49) RAB9AOPRM1OPRD1OPRK1ROCK2
Hydrochloric Acid SCHEMBL4936765 0.86 HTR2A (0.48) RAB9AOPRM1OPRD1OPRK1ROCK2
SCHEMBL14282053 0.81 NR1H4 (0.50) NPC1RAB9ASMN1; SMN2OPRM1OPRD1
SCHEMBL4935273 0.81 NR1H4 (0.50) NPC1RAB9ASMN1; SMN2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US claimed
US-20210052600-A1 THERAPEUTIC AGENTS FOR STRESS URINARY INCONTINENCE AND INCOTINENCE OF FECES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-25 US disclosed
EP-3733204-A1 THERAPEUTIC AGENT FOR STRESS URINARY INCONTINENCE AND FECAL INCONTINENCE Takeda Pharmaceutical Company Limited (JP) 2020-11-04 EP disclosed
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 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 (1 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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B NPC1 652/4885RAB9A 3737/4885KDM4E 1907/4885

“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.