SCHEMBL479112

SCHEMBL479112

ClCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 2/20 0.47
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
NFKB1 P19838 2/20 0.45
CYP2C19 P33261 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
ESR1 P03372 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45

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
Hydrochloric Acid SCHEMBL334991 0.98 OPRM1 (0.49) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL373667 0.98 OPRM1 (0.48) OPRM1OPRD1OPRK1TSHRALDH1A1
Hydrochloric Acid SCHEMBL144177 0.95 OPRM1 (0.50) OPRM1OPRD1OPRK1TSHRALDH1A1
Bromide SCHEMBL8961491 0.95 OPRM1 (0.47) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL2795989 0.91 OPRM1 (0.44) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL29151407 0.89 OPRM1 (0.49) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL9329761 0.87 HTT (0.53) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL8021687 0.87 TSHR (0.59) OPRM1TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL16104361 0.87 CARM1 (0.55) OPRM1OPRD1OPRK1TSHRALDH1A1
SCHEMBL17195397 0.87 HTT (0.56) OPRM1OPRD1OPRK1TSHRALDH1A1

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 1000 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190083423-A1 METHOD OF REDUCING NEURONAL CELL DEATH WITH HALOALKYLAMINES THE UNIVERSITY OF MONTANA (US) 2019-03-21 US claimed
US-20160220515-A1 METHOD OF REDUCING NEURONAL CELL DEATH WITH HALOALKYLAMINES THE UNIVERSITY OF MONTANA 2016-08-04 US claimed
EP-3041465-A2 METHOD OF REDUCING NEURONAL CELL DEATH WITH HALOALKYLAMINES The University Of Montana (US) 2016-07-13 EP claimed
CN-105530924-A Method for reducing neuronal cell death with haloalkylamines THE UNIV OF MONTANA 2016-04-27 CN claimed
WO-2015035308-A2 METHOD OF REDUCING NEURONAL CELL DEATH WITH HALOALKYLAMINES THE UNIVERSITY OF MONTANA (US) 2015-03-12 WO claimed
US-20130121923-A1 Treatment of Male Sexual Dysfunction PFIZER INC. (US) 2013-05-16 US claimed
WO-2012162364-A1 PHENOXYBENZAMINE FOR PAIN NEW YORK MEDICAL COLLEGE (US) 2012-11-29 WO claimed
US-20110107442-A1 Treatment of Male Sexual Dysfunction IXCHELSIS LIMITED (GB) 2011-05-05 US claimed
US-20090175793-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION PFIZER INC. 2009-07-09 US claimed
EP-1109542-A4 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-03-26 EP claimed
EP-0278158-A2 Renin inhibitors containing phenylalanyl-histidine replacements MERCK & CO. INC. (US) 1988-08-17 EP claimed
EP-0273696-A2 Renin inhibitors containing histidine replacements MERCK & CO. INC. (US) 1988-07-06 EP claimed
WO-1988004179-A1 COMBINATIONS OF RENAL VASODILATORS AND alpha1-ADRENERGIC OR GANGLIONIC BLOCKING AGENTS AND METHODS FOR TREATING DISEASES NEW YORK MEDICAL COLLEGE (US) 1988-06-16 WO claimed
US-4749686-A Combinations of renal vasodilators and α1 -adrenergic or ganglionic blocking agents and methods for treating diseases NEW YORK MEDICAL COLLEGE (US) 1988-06-07 US claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP claimed
EP-0163237-A2 Di- and tri-peptidal renin inhibitors MERCK & CO. INC. (US) 1985-12-04 EP claimed
EP-0157409-A2 Renin inhibitors containing 2-substituted statine MERCK & CO. INC. (US) 1985-10-09 EP claimed
EP-0156318-A2 C-terminal amide cyclic renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 EP claimed
EP-0156322-A2 Renin inhibitors containing peptide isosteres MERCK & CO. INC. (US) 1985-10-02 EP claimed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130121923-A1 Treatment of Male Sexual Dysfunction OXTR, AVPR1B, AVPR2 OPRM1 61/4885OPRD1 26/4885OPRK1 103/4885
US-20110107442-A1 Treatment of Male Sexual Dysfunction OXTR, AVPR1B, AVPR2 OPRM1 61/4885OPRD1 26/4885OPRK1 103/4885
US-20090175793-A1 TREATMENT OF MALE SEXUAL DYSFUNCTION OXTR, AVPR1B, AVPR2 OPRM1 61/4885OPRD1 26/4885OPRK1 103/4885

“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.