SCHEMBL39858

SCHEMBL39858

CN1CCN(CCNC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccoc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAP2 P11137 2/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
EGFR P00533 1/20 0.44
CDK2 P24941 1/20 0.44
MDM4 O15151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 2/20 0.43
TP53 P04637 1/20 0.43
CNR1 P21554 6/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 2/20 0.42

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
SCHEMBL39935 0.87 ALDH1A1 (0.62) CNR2MAP2KDM4EALDH1A1MDM4
SCHEMBL40489 0.87 CNR2 (0.45) CNR2MAP2KDM4EALDH1A1EGFR
SCHEMBL39921 0.85 CNR2 (0.50) CNR2MAP2KDM4EALDH1A1EGFR
SCHEMBL39949 0.81 CNR2 (0.49) CNR2MAP2KDM4EALDH1A1EGFR
SCHEMBL40013 0.81 CNR2 (0.55) CNR2MAP2KDM4EALDH1A1EGFR
SCHEMBL39881 0.79 CNR2 (0.47) CNR2MAP2KDM4EALDH1A1EGFR
SCHEMBL13151482 0.76 MAP2 (0.51) CNR2MAP2KDM4EALDH1A1MDM4
SCHEMBL45059 0.75 PTGS2 (0.41) CNR2MAP2KDM4EALDH1A1POLB
SCHEMBL47298 0.75 PTGS2 (0.41) CNR2MAP2KDM4EALDH1A1POLB
SCHEMBL39923 0.75 OPRK1 (0.45) MAP2KDM4EALDH1A1EGFRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419408-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K. (JP) 2012-02-22 EP claimed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US claimed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 WO claimed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 WO 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR CNR2 53/4885MAP2 1030/4885KDM4E 2947/4885

“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.