SCHEMBL22438849

SCHEMBL22438849

CC(C)c1c[nH]c2ccc(Br)c(F)c12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 2/20 0.46
GPR84 Q9NQS5 2/20 0.35
FFAR1 O14842 1/20 0.32
HTR2A P28223 1/20 0.31
THRA P10827 2/20 0.30
THRB P10828 2/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL31386148 0.77 HTR6 (0.49) HTR6HTR1AHTR7GPR84FFAR1
SCHEMBL25613921 0.75 CYP2A6 (0.50) GPR84FFAR1HTR2ACYP2A6
SCHEMBL1470845 0.73 HTR6 (0.49) HTR6HTR1AHTR7GPR84FFAR1
SCHEMBL16522855 0.71 GPR84 (0.53) HTR6HTR1AHTR7GPR84FFAR1
SCHEMBL25075601 0.70 GPR84 (0.40) HTR6HTR7GPR84FFAR1HTR2A
SCHEMBL24144882 0.70 GPR84 (0.47) HTR6HTR1AHTR7GPR84FFAR1
SCHEMBL29955572 0.69 CYP2A6 (0.60) HTR6HTR1AHTR7GPR84CYP2A6
SCHEMBL25075605 0.69 GPR84 (0.36) HTR6GPR84HTR2A
SCHEMBL22483859 0.69 KDM1A (0.35)
SCHEMBL827309 0.68 HTR2C (0.46) GPR84FFAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448190-B Substituted indole compounds 百时美施贵宝公司 2023-09-26 CN disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
EP-3710440-B1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-05 EP disclosed
US-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-03-30 US disclosed
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-08-19 US disclosed
EP-3710440-A1 SUBSTITUTED INDOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2020-09-23 EP disclosed
CN-111448190-A Substituted indole compounds 百时美施贵宝公司 2020-07-24 CN 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-20230098244-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 HTR6 44/4885HTR1A 46/4885HTR7 3/4885
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 HTR6 44/4885HTR1A 46/4885HTR7 3/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 HTR6 44/4885HTR1A 46/4885HTR7 3/4885

“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.