SCHEMBL24258758

SCHEMBL24258758

C=C(CCF)C(=O)N(CCCCCC(=O)OC)c1cccc(-c2noc(C3CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL22353813 0.84 RAB9A (0.47) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL22353943 0.76 NR1H4 (0.45) NR1H4
SCHEMBL22353766 0.71 NR1H4 (0.44) NR1H4
SCHEMBL22353859 0.68 AKR1C4 (0.33) NR1H4
SCHEMBL22353967 0.66 NR1H4 (0.32) NR1H4
SCHEMBL22353640 0.65 NR1H4 (0.35) NR1H4
SCHEMBL12377807 0.64 CASP3 (0.86) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL22353755 0.63 NR1H4 (0.46) NR1H4
SCHEMBL29176867 0.63 CASP3 (0.52) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL60282 0.63 CA12 (0.61) NPC1RAB9ACASP3SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR1H4 2/4885NPC1 149/4885RAB9A 2124/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NPC1 149/4885RAB9A 2124/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NPC1 149/4885RAB9A 2124/4885

“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.