SCHEMBL31020950

SCHEMBL31020950

COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2ccc(N(C)C)cc2[nH]1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 10/20 1.00
▸ BAZ2B Q9UIF8 1/20 0.62
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ KDR P35968 2/20 0.55
▸ HRH4 Q9H3N8 2/20 0.51
▸ USP2 O75604 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL23828248 1.00 CFTR (1.00) CFTRBAZ2BNPC1RAB9AKMT2A
SCHEMBL23828252 0.88 CFTR (0.79) CFTRBAZ2BNPC1KMT2AUSP2
SCHEMBL31020955 0.88 CFTR (0.79) CFTRBAZ2BNPC1KMT2AUSP2
SCHEMBL23828297 0.86 CFTR (1.00) CFTRBAZ2BNPC1RAB9AKMT2A
SCHEMBL30570561 0.86 CFTR (1.00) CFTRBAZ2BNPC1RAB9AKMT2A
SCHEMBL29171356 0.77 BAZ2B (0.82) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828266 0.76 CFTR (0.65) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL30570535 0.76 CFTR (0.65) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL23828254 0.76 CFTR (0.75) CFTRBAZ2BKDRUSP2CYP1A2
SCHEMBL17447456 0.74 BAZ2B (0.76) CFTRBAZ2BKDRUSP2CYP1A2

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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — 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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885BAZ2B 4498/4885NPC1 43/4885

“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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