SCHEMBL3436767

SCHEMBL3436767

CCC(=O)OC1CCN(c2ccc(Cl)cc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
GRM5 P41594 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACACB O00763 3/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NOTUM Q6P988 1/20 0.40
TSHR P16473 1/20 0.40
IDE P14735 1/20 0.40
AVPR1A P37288 1/20 0.39
USP2 O75604 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
SCHEMBL3436536 0.86 MAPT (0.43) MEN1KMT2AADAMTS5GAAMAPT
SCHEMBL3436714 0.82 TSHR (0.48) AKR1C3MEN1KMT2ALMNAMAPT
SCHEMBL16449192 0.79 AKR1C3 (0.47) AKR1C3GRM5MEN1KMT2AKDM4E
SCHEMBL3436573 0.79 MEN1 (0.61) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL29021214 0.76 DDB1 (0.41) KDM4EMAPTACACBALDH1A1
SCHEMBL2070466 0.76 NOTUM (0.63) AKR1C3KDM4ELMNAGAAMAPT
SCHEMBL27517376 0.72 MAPT (0.48) MEN1KMT2AKDM4ELMNAGAA
SCHEMBL28128078 0.72 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1NOTUM
SCHEMBL29021206 0.72 DDB1 (0.44) ACACB
SCHEMBL5430805 0.71 SETDB1 (0.42) AKR1C3GRM5KMT2AKDM4ELMNA

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 2 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-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 AKR1C3 343/4885GRM5 1055/4885MEN1 4778/4885

“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.