SCHEMBL1765097

SCHEMBL1765097

Cc1nc(-c2c(F)cccc2Cl)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
GRM5 P41594 1/20 0.42
ECE1 P42892 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EIF4E P06730 1/20 0.40
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GNRHR P30968 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL19626559 0.90 RECQL (0.49) TSHRRECQLNPC1RAB9AKDM4E
SCHEMBL1804042 0.83 MPL (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2219022 0.82 RECQL (0.50) TSHRRECQLNPC1RAB9AKDM4E
SCHEMBL15640810 0.75 MEN1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2MAPK1
SCHEMBL1765087 0.75 MPL (0.49) TSHRRECQLNPC1RAB9AKDM4E
SCHEMBL1764977 0.75 HTR2C (0.47) TSHRRECQLNPC1RAB9AKDM4E
SCHEMBL13002992 0.75 MPL (0.49) TSHRRECQLNPC1RAB9AKDM4E
SCHEMBL8700796 0.74 MPL (0.66) TSHRRECQLNPC1RAB9AKDM4E
SCHEMBL4437476 0.74 CYP19A1 (0.57) NPC1RAB9AKDM4ESMN1; SMN2MAPK1
SCHEMBL13078713 0.73 KDM4E (0.42) TSHRRECQLNPC1RAB9AKDM4E

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-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 TSHR 515/4885RECQL 2808/4885NPC1 937/4885

“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.