SCHEMBL15464306

SCHEMBL15464306

CC1(O)CCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.61
OPRM1 P35372 18/20 0.61
OPRK1 P41145 17/20 0.61
OPRD1 P41143 16/20 0.61
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL71724 0.85 NPSR1 (0.57) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL15463710 0.85 OPRL1 (0.62) OPRL1OPRM1OPRK1OPRD1ALDH1A1
Hydrochloric Acid SCHEMBL2951072 0.84 NPSR1 (0.56) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL23666448 0.82 OPRM1 (0.57) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL16119812 0.78 OPRM1 (0.64) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL13939174 0.74 OPRL1 (0.65) OPRL1OPRM1OPRK1OPRD1CYP2D6
SCHEMBL10047375 0.74 NPSR1 (0.61) OPRL1OPRM1OPRK1OPRD1CYP3A4
SCHEMBL15463922 0.73 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2707046 0.73 LMNA (0.63) OPRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL303920 0.73 LMNA (0.63) OPRL1OPRM1OPRK1OPRD1ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103649075-B Isosorbide-5-Nitrae-dihydropyridine-3,5-dicarboxylate derivatives and preparation and application thereof XUANZHU PHARMA CO.,LTD. (CN) 2016-05-25 CN disclosed
US-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
US-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
US-9198902-B2 1,4-dihydropyridine-3,5-dicarboxylate derivatives and preparation and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2015-12-01 US disclosed
EP-2703398-A1 1,4-DIHYDROPYRIDINE -3,5-DICARBOXYLATE DERIVATIVES, PREPARATION METHODS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-03-05 EP disclosed
EP-2703398-A1 1,4-DIHYDROPYRIDINE -3,5-DICARBOXYLATE DERIVATIVES, PREPARATION METHODS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-03-05 EP disclosed
US-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof Xuanzhu Pharma Co., Ltd. (CN) 2014-02-13 US disclosed
US-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof Xuanzhu Pharma Co., Ltd. (CN) 2014-02-13 US disclosed
US-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof Xuanzhu Pharma Co., Ltd. (CN) 2014-02-13 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-20140045896-A1 1,4-dihydropyridine-3,5-dicarboxylate Derivatives And Preparation And Use Thereof PKD1, REN, GLS OPRL1 2323/4885OPRM1 1214/4885OPRK1 1251/4885

“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.