SCHEMBL7548982

SCHEMBL7548982

CCC1(C(=O)OCCBr)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.38
CHRM1 P11229 5/20 0.38
CYP3A4 P08684 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 3/20 0.38
ABCB11 O95342 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SCN1A P35498 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
SCHEMBL6582737 0.86 ALDH1A1 (0.36) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL6583645 0.84 ALDH1A1 (0.35) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL31050190 0.83 CYP3A4 (0.39) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL11303514 0.81 CYP4F2 (0.41) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL17454 0.80 SMN1; SMN2 (0.40) LMNAKCNH2HSD17B10MEN1KMT2A
SCHEMBL1142569 0.79 SMN1; SMN2 (0.39) LMNAHSD17B10MEN1KMT2AALDH1A1
SCHEMBL1814127 0.77 CYP4F2 (0.40) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL17882031 0.76 HCAR2 (0.36) CHRM2CHRM1CYP3A4SIGMAR1LMNA
SCHEMBL2289682 0.76 SMN1; SMN2 (0.44) LMNAKCNH2HSD17B10MEN1KMT2A
SCHEMBL15142237 0.75 ALOX5 (0.34) CHRM2CHRM1CYP3A4SIGMAR1LMNA

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-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES HULL KENNETH G (US) 2002-01-24 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-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES VCAM1, ICAM1, KCNA4 CHRM2 1814/4885CHRM1 1277/4885CYP3A4 171/4885

“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.