SCHEMBL25992144

SCHEMBL25992144

Cc1cccc(NCC23CCC(c4ccc(Br)cc4)(CC2)CC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.40
ICMT O60725 2/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 3/20 0.35

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
SCHEMBL21951871 0.79 ALDH1A1 (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22350274 0.77 CCNB2 (0.35) ALDH1A1LMNAMAPK1
SCHEMBL22347648 0.77 NR1H4 (0.32)
SCHEMBL22348075 0.77 PARP1 (0.40) MAPTCYP1A2CYP3A4KMT2AMEN1
SCHEMBL22348757 0.76 PKM (0.43) MAPTKMT2AMEN1NPSR1L3MBTL1
SCHEMBL22350273 0.76 NR1H4 (0.48) HTTKMT2AMEN1POLBALDH1A1
SCHEMBL22350211 0.75 RAB9A (0.38) MAPTCYP1A2CYP3A4KMT2AMEN1
SCHEMBL29900976 0.75 RAB9A (0.38) MAPTCYP1A2CYP3A4KMT2AMEN1
SCHEMBL26077746 0.73 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27446671 0.73 KMT2A (0.49) MAPTCYP1A2CYP3A4CYP2D6CYP2C19

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-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 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-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 1563/4885CYP1A2 647/4885CYP3A4 213/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MAPT 398/4885CYP1A2 883/4885CYP3A4 537/4885

“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.