SCHEMBL25574253

SCHEMBL25574253

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2cncnc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
TRPV1 Q8NER1 7/20 0.49
KDR P35968 1/20 0.49
LIMK1 P53667 1/20 0.49
LIMK2 P53671 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
EPHX2 P34913 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN2B Q13224 2/20 0.46
GPR142 Q7Z601 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL25574257 0.92 MAPT (0.53) MAPTTRPV1KDRLIMK1LIMK2
SCHEMBL25574256 0.92 TRPV1 (0.55) MAPTTRPV1GPR142HTR2AHTR2C
SCHEMBL25574408 0.88 GPR142 (0.59) MAPTTRPV1SMN1; SMN2NPSR1GPR142
SCHEMBL25574250 0.84 TRPV1 (0.53) TRPV1KDRGPR142
SCHEMBL25574262 0.84 GPR142 (0.57) MAPTTRPV1KDRSMN1; SMN2NPSR1
SCHEMBL25574260 0.84 MAPT (0.55) MAPTTRPV1KDRSMN1; SMN2NPSR1
SCHEMBL25574412 0.80 KMT2A (0.65) MAPTSMN1; SMN2EPHX2GRIN2B
SCHEMBL30377407 0.79 GPR142 (0.59) MAPTTRPV1SMN1; SMN2NPSR1GPR142
SCHEMBL25574406 0.79 GPR142 (0.59) MAPTTRPV1SMN1; SMN2NPSR1GPR142
SCHEMBL25574271 0.79 TRPV1 (0.54) MAPTTRPV1KDRLIMK1LIMK2

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-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 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 (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-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 GPR3, GPR65, GPR52 MAPT 4712/4885TRPV1 206/4885KDR 1154/4885

“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.