SCHEMBL256752

SCHEMBL256752

Cc1ccnc2c1CCN2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
RAD52 P43351 1/20 0.35
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
GAA P10253 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
GRM5 P41594 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
TP53 P04637 1/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32

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
SCHEMBL13081092 0.91 HTR2A (0.46) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL19391610 0.79 HTR2A (0.46) HTR2AHTR2CHTR2BCCR1CCR5
SCHEMBL13354227 0.79 RAD52 (0.37) HTR2AHTR2CHTR2BRAD52GAA
SCHEMBL23104657 0.79 HTR2A (0.46) HTR2AHTR2CHTR2BRAD52GAA
SCHEMBL18905194 0.78 HTR2A (0.51) HTR2AHTR2CHTR2BRAD52GAA
SCHEMBL23467644 0.77 TNKS (0.36) HTR2CGAAKDM4EALDH1A1GLA
SCHEMBL23108982 0.77 HTR2C (0.50) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL23022293 0.74 MAOA (0.37) HTR2AHTR2CHTR2BKDM4E
SCHEMBL7214920 0.74 NOTUM (0.54) HTR2AHTR2CHTR2B
SCHEMBL23104255 0.73 HTR2A (0.45) HTR2AHTR2CHTR2BGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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 (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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HTR2A 113/4885HTR2C 66/4885HTR2B 418/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HTR2A 2432/4885HTR2C 3023/4885HTR2B 2716/4885

“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.