SCHEMBL30447931

SCHEMBL30447931

Cc1cccc(Cc2cnc(C(C)C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.41
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ USP1 O94782 1/20 0.38
▸ WDR48 Q8TAF3 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ MAOB P27338 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
SCHEMBL13561332 0.82 HTR2B (0.44) HTR2BTAAR1ALDH1A1SLC6A4LTA4H
SCHEMBL30018353 0.76 HSP90AA1 (0.38) FYNHTR2CHTR2BTAAR1USP1
SCHEMBL23886028 0.76 HSP90AA1 (0.38) FYNHTR2CHTR2BTAAR1USP1
SCHEMBL3119876 0.73 CYP1A2 (0.46) FYNHTR2CHTR2BTAAR1CYP1A2
SCHEMBL13255919 0.72 MEN1 (0.40) FYNHTR2CHTR2BTAAR1IDO1
SCHEMBL24636033 0.71 BCHE (0.47) IDO1ALDH1A1
SCHEMBL30000562 0.71 TAAR1 (0.60) TAAR1IDO1DAOALDH1A1LTA4H
SCHEMBL1263547 0.71 TAAR1 (0.60) TAAR1IDO1DAOALDH1A1LTA4H
SCHEMBL29459538 0.71 TAAR1 (0.60) TAAR1IDO1DAOALDH1A1LTA4H
SCHEMBL13183648 0.71 CYP11B1 (0.41) TAAR1IDO1DAOCYP2D6ALDH1A1

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-12428403-B2 N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as SSTR4 agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-09-30 — — US disclosed
US-20230192659-A1 N-(HETEROCYCLYL AND HETEROCYCLYLALKYL)-3-BENZYLPYRIDIN-2-AMINE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-22 — — 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-12428403-B2 N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as SSTR4 agonists SSTR4, SSTR3, SSTR1 FYN 1519/4885HTR2C 105/4885HTR2B 110/4885
US-20230192659-A1 N-(HETEROCYCLYL AND HETEROCYCLYLALKYL)-3-BENZYLPYRIDIN-2-AMINE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR1 FYN 1519/4885HTR2C 105/4885HTR2B 110/4885

“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.

Send feedback