SCHEMBL1749680

SCHEMBL1749680

OC1(c2ccc(F)cn2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
SYK P43405 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
TRPA1 O75762 1/20 0.35
PIM1 P11309 1/20 0.33
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
ERBB2 P04626 1/20 0.32
KDR P35968 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DPP4 P27487 1/20 0.32
HTR2C P28335 2/20 0.32
CNR1 P21554 1/20 0.32
SLC6A2 P23975 2/20 0.31
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL23231744 0.84 TRPA1 (0.40) SYKTRPA1HDAC6CNR1
SCHEMBL652585 0.79 DRD2 (0.56) DRD2SYKSIGMAR1TRPA1PIM1
SCHEMBL13650611 0.77 MAPKAPK2 (0.39) DRD2SYKSIGMAR1PIM1USP2
SCHEMBL5696649 0.76 SIGMAR1 (0.45) DRD2SYKSIGMAR1CCNT1CDK9
SCHEMBL13646222 0.74 SMO (0.46) DRD2SYKSIGMAR1PIM1
SCHEMBL13646233 0.72 SYK (0.36) DRD2SYKSIGMAR1HDAC6
SCHEMBL13646228 0.72 SIGMAR1 (0.39) DRD2SYKSIGMAR1CCNT1CDK9
SCHEMBL615480 0.72 DRD2 (0.66) DRD2SIGMAR1SLC6A2
SCHEMBL171507 0.71 OPRM1 (0.53) DRD2SIGMAR1PIM1SLC6A2USP2
SCHEMBL29602661 0.71 OPRM1 (0.53) DRD2SIGMAR1PIM1SLC6A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 DRD2 1711/4885SYK 1871/4885SIGMAR1 591/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 DRD2 1574/4885SYK 1891/4885SIGMAR1 678/4885

“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.