SCHEMBL1750265

SCHEMBL1750265

OC1(c2ccc(Cl)nc2)CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.61
EPHB3 P54753 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
MAPKAPK2 P49137 2/20 0.39
PDE10A Q9Y233 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
CHRNA7 P36544 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL29695056 0.87 DRD2 (0.41) DRD2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3602093 0.87 DRD2 (0.41) DRD2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21848271 0.84 DRD2 (0.39) DRD2PDE10ANAPRTTRPA1
SCHEMBL1959786 0.84 TRPA1 (0.41) DRD2PDE10ANAPRTTRPA1
SCHEMBL19284042 0.82 TRPA1 (0.40) DRD2PDE10ANAPRTTRPA1
SCHEMBL23647450 0.79 DRD2 (0.40) DRD2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13646216 0.79 DRD2 (0.51) DRD2EPHB3MAPKAPK2PDE10ASIGMAR1
SCHEMBL19284003 0.79 OGA (0.40) DRD2PDE10ANAPRTTRPA1
SCHEMBL31158358 0.79 DRD2 (0.40) DRD2CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL2885444 0.78 DRD2 (0.50) DRD2EPHB3MAPKAPK2PDE10ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102022-A1 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (3 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 DRD2 1711/4885EPHB3 3177/4885CHRNB2 3093/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 DRD2 1574/4885EPHB3 2979/4885CHRNB2 2892/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 DRD2 4077/4885EPHB3 1408/4885CHRNB2 1324/4885

“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.