SCHEMBL3725877

SCHEMBL3725877

COc1cc(F)ccc1C(C)N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
PDE2A O00408 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3702590 1.00 CYP2D6 (0.41) CYP2D6ADRA2AADRA1APDE2AMEN1
SCHEMBL30949362 1.00 CYP2D6 (0.41) CYP2D6ADRA2AADRA1APDE2AMEN1
SCHEMBL25180793 1.00 CYP2D6 (0.41) CYP2D6ADRA2AADRA1APDE2AMEN1
SCHEMBL30166162 1.00 CYP2D6 (0.41) CYP2D6ADRA2AADRA1APDE2AMEN1
SCHEMBL669891 0.85 CYP2D6 (0.49) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL895659 0.85 CYP2D6 (0.49) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL896090 0.85 CYP2D6 (0.49) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL29429683 0.85 CYP2D6 (0.49) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL765434 0.84 GAA (0.43) MEN1KMT2AKDM4E
SCHEMBL12563123 0.82 KDM4E (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164989-A Imidazo [1,2-b ] pyridazine derivatives as TRK inhibitors and application thereof 上海医药工业研究院有限公司 2024-06-11 CN disclosed
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 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-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 CYP2D6 1497/4885ADRA2A 169/4885ADRA1A 223/4885

“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.