SCHEMBL21076141

SCHEMBL21076141

CC(C)C(C)Cc1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.69
RECQL P46063 3/20 0.49
TSHR P16473 1/20 0.49
TAAR1 Q96RJ0 3/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 4/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
AOC3 Q16853 1/20 0.44
ALOX15 P16050 3/20 0.42
ALOX12 P18054 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 2/20 0.42

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
SCHEMBL16379378 0.84 PNMT (0.69) PNMTRECQLTSHRTAAR1HTR3E
SCHEMBL777207 0.83 PNMT (0.74) PNMTRECQLTSHRTAAR1HTR3E
SCHEMBL29091466 0.82 PNMT (0.61) PNMTRECQLTSHRTAAR1HTR3E
Ammonia Solution, Strong SCHEMBL27650008 0.82 PNMT (0.71) PNMTRECQLTSHRTAAR1HTR3E
SCHEMBL14478283 0.82 PNMT (1.00) PNMTRECQLTSHRTAAR1CYP3A4
SCHEMBL266685 0.82 PNMT (1.00) PNMTRECQLTSHRTAAR1CYP3A4
SCHEMBL30363681 0.82 PNMT (1.00) PNMTRECQLTSHRTAAR1CYP3A4
SCHEMBL4694047 0.81 PNMT (0.76) PNMTRECQLTSHRTAAR1HTR3E
SCHEMBL20353178 0.80 PNMT (0.69) PNMTRECQLTSHRTAAR1HTR3E
SCHEMBL4668971 0.80 PNMT (0.69) PNMTRECQLTSHRTAAR1HTR3E

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-20190167685-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2019-06-06 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-20190167685-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G PNMT 2226/4885RECQL 3115/4885TSHR 4014/4885

“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.