SCHEMBL23593328

SCHEMBL23593328

C=C(CCNCc1cccc(C(F)(F)F)c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 1/20 0.45
▸ RHOA P61586 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ SCN8A Q9UQD0 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
SCHEMBL23593230 0.86 CYP1A2 (0.50) CNR1POLB
SCHEMBL24118250 0.82 ALDH1A1 (0.54) RHOCRHOAMEN1KMT2AALDH1A1
SCHEMBL23593323 0.81 CYP1A2 (0.50) MEN1KMT2ACNR1FFAR1POLB
SCHEMBL26783470 0.76 AR (0.47) ALDH1A1L3MBTL1
SCHEMBL24118254 0.74 FPR2 (0.48) KDM4EMEN1KMT2ACNR1MAPT
SCHEMBL23593322 0.74 POLB (0.48) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL23271192 0.73 IDO1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23271193 0.73 IDO1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5939473 0.73 FFAR1 (0.62) KDM4EMEN1KMT2AMAPTFFAR1
SCHEMBL26783549 0.73 GRM5 (0.42) MEN1KMT2AALDH1A1POLBIDH1

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-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — US disclosed
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — 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-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 RHOC 3840/4885RHOA 2911/4885KDM4E 1609/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 RHOC 3561/4885RHOA 2254/4885KDM4E 1508/4885

“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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