SCHEMBL23593230

SCHEMBL23593230

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.45
▸ IDO1 P14902 3/20 0.43
▸ SLC2A1 P11166 2/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ KLK7 P49862 1/20 0.42
▸ FOLH1 Q04609 1/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ MARS1 P56192 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
SCHEMBL23593323 0.86 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19RAB9ACNR1
SCHEMBL23593328 0.86 RHOC (0.45) CNR1POLB
SCHEMBL24118262 0.83 RAB9A (0.56) CYP1A2CYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL24118254 0.76 FPR2 (0.48) CYP1A2CYP2C19RAB9ACNR1POLB
SCHEMBL24118338 0.76 GCGR (0.46) IDO1CNR1POLBKLK7GRIK1
SCHEMBL24118279 0.76 MEN1 (0.59) CYP1A2CYP3A4CYP2C19RAB9ASLC2A1
SCHEMBL23593322 0.76 POLB (0.48) CYP1A2CYP2C19RAB9APOLBKLK7
SCHEMBL24118326 0.75 GCG (0.49) RAB9APOLBKLK7GRIK1
SCHEMBL24118405 0.74 KMT2A (0.44) RAB9AIDO1CNR1POLB
SCHEMBL24118062 0.74 IDO1 (0.54) IDO1POLBKLK7

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 CYP1A2 147/4885CYP3A4 905/4885CYP2D6 236/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 CYP1A2 120/4885CYP3A4 842/4885CYP2D6 155/4885

“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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