SCHEMBL3436617

SCHEMBL3436617

Cc1ccccc1N1CCC[C@@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.45
FFAR1 O14842 5/20 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
SLC18A3 Q16572 1/20 0.42
PPARG P37231 1/20 0.41
PDK2 Q15119 2/20 0.41
PDK4 Q16654 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 1/20 0.41
TSHR P16473 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CDK1 P06493 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
SCHEMBL31058296 0.83 AR (0.43) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL21778414 0.81 ITGB2 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL10208772 0.81 ADRB1 (0.46) ADRB1CCNE2CDK4CCND1CCNE1
SCHEMBL3435705 0.81 NR1I2 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL2936136 0.80 NR1I2 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL19937825 0.80 FFAR1 (0.45) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL28526319 0.79 PDK2 (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL27676113 0.79 HTR1A (0.49) FFAR1CCNE2CDK4CCND1CCNE1
SCHEMBL31058223 0.79 PDK2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3169375 0.76 CCNE2 (0.42) FFAR1CCNE2CDK4CCND1CCNE1

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-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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 ADRB1 37/4885FFAR1 399/4885CCNE2 3289/4885

“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.