SCHEMBL23114270

SCHEMBL23114270

C[C@@H](c1ccc(S)nc1)N1CCC[C@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KAT2B Q92831 2/20 0.34
▸ OGA O60502 4/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CXCR3 P49682 1/20 0.31
▸ SMPD3 Q9NY59 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23425821 1.00 MCHR1 (0.34) MCHR1KDM4EKAT2BOGAHSD11B1
SCHEMBL23089230 0.87 ALOX5AP (0.35) MCHR1KDM4EKAT2BDPP4KCNH2
SCHEMBL29736774 0.87 ALOX5AP (0.35) MCHR1KDM4EKAT2BDPP4KCNH2
SCHEMBL29814808 0.87 ALOX5AP (0.35) MCHR1KDM4EKAT2BDPP4KCNH2
SCHEMBL24859594 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BALDH1A1KCNH2
SCHEMBL23106973 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BALDH1A1KCNH2
SCHEMBL23107567 0.85 KMT2A (0.39) MCHR1KDM4EKAT2BALDH1A1KCNH2
SCHEMBL25147048 0.85 MCHR1 (0.33) MCHR1KDM4EKAT2BOGAALDH1A1
SCHEMBL23108847 0.84 MCHR1 (0.34) MCHR1KDM4EKAT2BOGAALDH1A1
SCHEMBL23102948 0.84 MCHR1 (0.34) MCHR1KDM4EKAT2BOGAALDH1A1

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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 — — US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 — — 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MCHR1 1383/4885KDM4E 3143/4885KAT2B 3660/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MCHR1 1383/4885KDM4E 3143/4885KAT2B 3660/4885

“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.

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