SCHEMBL6419591

SCHEMBL6419591

ICCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TSHR P16473 1/20 0.46
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ NCOR2 Q9Y618 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ AOC3 Q16853 1/20 0.43

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
SCHEMBL1504711 0.95 ALDH1A1 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL18768472 0.87 MAOB (0.53) ALDH1A1TSHRCNR2OPRM1
SCHEMBL4081568 0.85 HTT (0.55) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL19326604 0.82 HTT (0.53) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL9329761 0.82 HTT (0.53) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL976373 0.81 HDAC3 (0.49) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL11795941 0.80 HDAC3 (0.56) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL4974601 0.80 HDAC3 (0.61) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL134524 0.79 TSHR (0.60) ALDH1A1TSHRCNR2OPRM1OPRD1
SCHEMBL231061 0.78 OPRK1 (0.63) ALDH1A1TSHRTRPM8TRPV1OPRM1

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-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-02 — — 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-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction HTR2C, GPR119, HTR2B ALDH1A1 3508/4885HPGD 3003/4885ALOX15 2953/4885

“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.

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