SCHEMBL6972395

SCHEMBL6972395

O=C(O)NC1(c2ccccc2)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
SSTR4 P31391 1/20 0.49
HTR2A P28223 1/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TTK P33981 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TACR3 P29371 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HDAC4 P56524 1/20 0.39

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
Hydrochloric Acid SCHEMBL7723494 0.98 OPRM1 (0.48) OPRM1SSTR4HTR2AHDAC1POLB
SCHEMBL17188052 0.91 HTR2A (0.50) OPRM1SSTR4HTR2AHDAC1POLB
SCHEMBL2363242 0.87 HTT (0.48) OPRM1SSTR4HDAC1POLBALDH1A1
SCHEMBL2231946 0.86 POLB (0.57) OPRM1SSTR4HTR2AHDAC1POLB
SCHEMBL4630876 0.86 OPRM1 (0.47) OPRM1SSTR4HTR2AHDAC1POLB
Benzene SCHEMBL27461502 0.86 OPRM1 (0.47) OPRM1SSTR4HTR2AHDAC1POLB
Hydrochloric Acid SCHEMBL2479293 0.85 POLB (0.56) OPRM1SSTR4HTR2AHDAC1POLB
SCHEMBL9786501 0.85 HDAC1 (0.49) OPRM1SSTR4HDAC1ALDH1A1KDM4E
SCHEMBL4631318 0.85 OPRM1 (0.49) OPRM1SSTR4HTR2AHDAC1POLB
SCHEMBL4630574 0.83 SSTR4 (0.45) OPRM1SSTR4HTR2AHDAC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1133622-C Ureidopiperidine derivatives as human NK3Selective antagonists of receptors ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-01-07 CN claimed
EP-1140923-B1 METHOD FOR PREPARING (R)- (+) -3 1- 2-( 4-BENZOYL- 2-(3,4- DIFLUOROPHENYL)MORPHOLIN- 2-YL)ETHYL]- 4-PHENYLPIPERIDIN -4-YL -1,1- DIMETHYLUREA, ITS SALTS SOLVATES AND/OR HYDRATES SANOFI SYNTHELABO (FR) 2003-03-05 EP claimed
US-6465489-B1 SUCH AS 1-BENZOYL-3-(3,4-DICHLOROPHENYL)-3-(3-(4-(N',N'-DIMETHYLUREIDO)-4 -PHENYLPIPERIDIN-1-)PROPYL)PIPERIDINE; PSYCHIATRIC AND PSYCHOSOMATIC ILLNESSES, HYPERTENSION, CENTRAL OR PERIPHERAL PATHOLOGY SANOFI-SYNTHELABO (FR) 2002-10-15 US claimed
US-6392039-B1 COUPLING; SALT FORMATION SANOFI-SYNTHELABO (FR) 2002-05-21 US claimed
CN-1329594-A Ureidopiperidine derivatives as human NK3Selective antagonists of receptors SANOFI SYNTHELABO (FR) 2002-01-02 CN claimed
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 US disclosed
WO-2022237178-A1 BICYCLIC HETEROARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-11-17 WO disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
EP-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed
US-6465489-B1 SUCH AS 1-BENZOYL-3-(3,4-DICHLOROPHENYL)-3-(3-(4-(N',N'-DIMETHYLUREIDO)-4 -PHENYLPIPERIDIN-1-)PROPYL)PIPERIDINE; PSYCHIATRIC AND PSYCHOSOMATIC ILLNESSES, HYPERTENSION, CENTRAL OR PERIPHERAL PATHOLOGY SANOFI-SYNTHELABO (FR) 2002-10-15 US disclosed
US-6392039-B1 COUPLING; SALT FORMATION SANOFI-SYNTHELABO (FR) 2002-05-21 US 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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 OPRM1 4615/4885SSTR4 4611/4885HTR2A 3729/4885

“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.