SCHEMBL25111133

SCHEMBL25111133

CCC(C)C(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ACP3 P15309 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC2A1 P11166 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
SCHEMBL14415584 0.83 PNMT (0.46) PNMTAOC3OPRM1OPRD1OPRK1
SCHEMBL14415585 0.83 PNMT (0.46) PNMTAOC3OPRM1OPRD1OPRK1
SCHEMBL14415586 0.83 PNMT (0.46) PNMTAOC3OPRM1OPRD1OPRK1
SCHEMBL25819608 0.80 HDAC4 (0.53) PNMTAOC3ALDH1A1HPGDALOX15
SCHEMBL26239181 0.80 HDAC4 (0.53) PNMTAOC3ALDH1A1HPGDALOX15
SCHEMBL199109 0.80 HDAC4 (0.53) PNMTAOC3ALDH1A1HPGDALOX15
SCHEMBL10442439 0.79 AOC3 (0.46) PNMTAOC3ALDH1A1HPGDTSHR
SCHEMBL9687568 0.79 PNMT (0.39) PNMTAOC3ALDH1A1HPGDTSHR
SCHEMBL16771227 0.78 ACP3 (0.46) PNMTAOC3TSHROPRM1OPRD1
SCHEMBL12735693 0.78 AOC3 (0.45) PNMTAOC3ALDH1A1HPGDTSHR

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-20230061608-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-03-02 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-20230061608-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG PNMT 4098/4885AOC3 4803/4885ALDH1A1 3975/4885

“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.