SCHEMBL21366596

SCHEMBL21366596

Cc1ccn(-c2cc(-c3cccc(C#N)c3)ccc2C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CLK4 Q9HAZ1 2/20 0.37
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL18713969 0.89 GABRG2 (0.38) GRM5IRAK4ALDH1A1MAPTRAB9A
SCHEMBL21164613 0.87 GABRG2 (0.39) GRM5IRAK4ALDH1A1MAPTRAB9A
SCHEMBL16574037 0.85 GRM5 (0.43) GRM5ALDH1A1MAPTRAB9AKDM4E
SCHEMBL20031915 0.81 MAPT (0.40) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL21508079 0.79 RAB9A (0.45) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL21508040 0.79 MAPT (0.45) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL17656956 0.78 MAPT (0.44) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL23603542 0.78 PGR (0.44) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL21508001 0.76 MAPT (0.42) IRAK4ALDH1A1MAPTRAB9AKDM4E
SCHEMBL21508073 0.76 MAPT (0.42) ALDH1A1MAPTRAB9AKDM4EGAA

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
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
EP-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 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 (2 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A GRM5 1170/4885IRAK4 956/4885ALDH1A1 433/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A GRM5 1170/4885IRAK4 956/4885ALDH1A1 433/4885

“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.