SCHEMBL45059

SCHEMBL45059

CN1CCC2CC(NC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccoc3)CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
CNR1 P21554 1/20 0.41
MAP2 P11137 7/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MCHR1 Q99705 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F10 P00742 4/20 0.36
MAPK10 P53779 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL47298 1.00 PTGS2 (0.41) PTGS2CNR1MAP2MAPTPOLB
SCHEMBL40489 0.80 CNR2 (0.45) PTGS2CNR1MAP2MAPTPOLB
SCHEMBL39858 0.75 CNR2 (0.49) PTGS2CNR1MAP2MAPTPOLB
SCHEMBL13151481 0.70
SCHEMBL39889 0.70 MAP2 (0.69) MAP2MAPTPOLBKDM4EALDH1A1
SCHEMBL13151484 0.68 RXFP1 (0.52)
SCHEMBL42264 0.68 RXFP1 (0.52)
SCHEMBL47199 0.68 RXFP1 (0.52)
SCHEMBL40494 0.66 ALDH1A1 (0.72) MAP2MAPTALDH1A1GAA
SCHEMBL39923 0.66 OPRK1 (0.45) PTGS2CNR1MAP2MAPTPOLB

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 3 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 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 PTGS2 928/4885CNR1 37/4885MAP2 1030/4885

“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.