SCHEMBL23718871

SCHEMBL23718871

C[C@@H](c1cccc(C#N)c1)N(C(=O)Nc1ccc(F)cc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MCHR1 Q99705 7/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CCR5 P51681 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL23200019 1.00 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23200230 0.99 MCHR1 (0.49) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23718944 0.99 MCHR1 (0.49) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23718907 0.93 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23699940 0.93 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23718943 0.92 MAPT (0.49) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23200101 0.92 MAPT (0.49) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23200196 0.91 MAPT (0.54) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23718860 0.91 MAPT (0.54) MAPTKMT2AMEN1SMN1; SMN2MCHR1
SCHEMBL23699897 0.90 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 — — 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 MAPT 128/4885KMT2A 3246/4885MEN1 1651/4885

“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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