SCHEMBL3435705

SCHEMBL3435705

Nc1ccccc1N1CCC[C@@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
PBRM1 Q86U86 1/20 0.44
KEAP1 Q14145 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PAK4 O96013 1/20 0.41
NOS1 P29475 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40

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
SCHEMBL28747213 0.95 KEAP1 (0.46) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL10208772 0.81 ADRB1 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3436617 0.81 ADRB1 (0.45) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL28526319 0.79 PDK2 (0.48) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL31058296 0.79 AR (0.43) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL27676113 0.79 HTR1A (0.49) NR1I2SMARCA2SMARCA4NR1H2NR1H3
SCHEMBL21778414 0.78 ITGB2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL19937825 0.77 FFAR1 (0.45) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3169375 0.76 CCNE2 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3173745 0.76 ADRB1 (0.45) CCNE2CDK4CCND1CCNE1CDK2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 NR1I2 777/4885SMARCA2 4216/4885SMARCA4 4045/4885

“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.