SCHEMBL395172

SCHEMBL395172

O=C(O)C(CCBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
OPRM1 P35372 4/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
NFKB1 P19838 1/20 0.40
SCN1A P35498 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40

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 SCHEMBL2395810 0.98 OPRM1 (0.42) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL27963558 0.84 CHRM3 (0.55) OPRM1DRD3DRD2DRD4CHRM2
SCHEMBL2395807 0.84 OPRM1 (0.41) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL10683962 0.83 CYP1A2 (0.46) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL4399206 0.81 CYP1A2 (0.45) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL394169 0.80 KCNN4 (0.55) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL379350 0.79 CYP2C19 (0.44) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL1614867 0.79 CYP2C19 (0.54) CYP1A2OPRM1DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL2861649 0.78 CYP2C19 (0.55) CYP1A2OPRM1DRD3DRD2DRD4
SCHEMBL31643504 0.76 OPRM1 (0.41) CYP1A2OPRM1DRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114617850-A Loperamide hydrochloride orally disintegrating tablet and preparation method thereof 北京万全德众医药生物技术有限公司 2022-06-14 CN disclosed
CN-107913260-A A kind of loperamide hydrochloride soft capsule and preparation method thereof 华益药业科技(安徽)有限公司 2018-04-17 CN disclosed
CN-107890461-A A kind of loperamide hydrochloride dispersible tablet and preparation method thereof 华益药业科技(安徽)有限公司 2018-04-10 CN disclosed
CN-107744513-A A kind of Loperamide hydrochloride capsules and preparation method thereof 华益药业科技(安徽)有限公司 2018-03-02 CN disclosed
EP-2384768-B1 Phenylpropionamide compounds and the use thereof PURDUE PHARMA LP (US) 2013-08-21 EP disclosed
US-8497287-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-30 US disclosed
US-8481743-B2 Phenylpropionamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-07-09 US disclosed
US-8481743-B2 Phenylpropionamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-07-09 US disclosed
US-8481743-B2 Phenylpropionamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-07-09 US disclosed
US-20130040965-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-02-14 US disclosed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 WO disclosed
US-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same SSP CO., LTD. (JP) 2004-02-19 US disclosed
WO-2003101953-A2 TRIAZASPIRO COMPOUNDS USEFUL FOR TREATING OR PREVENTING PAIN EURO-CELTIQUE, S.A (LU) 2003-12-11 WO disclosed
EP-1325912-A1 2,2-DIPHENYLBUTANAMIDE DERIVATIVES AND MEDICINES CONTAINING THE SAME SSP Co., Ltd. (JP) 2003-07-09 EP disclosed
US-6573282-B1 Compositions for treatment of peripheral hyperalgesia are provided. The compositions contain an anti-hyperalgesia effective amount of one or more compounds that directly or indirectly interact with peripheral opiate receptors ADOLOR CORPORATION 2003-06-03 US disclosed
US-6362203-B1 ANALGESICS SSP CO., LTD (JP) 2002-03-26 US disclosed
EP-1097924-A1 4-hydroxy-4-phenylpiperidine derivatives having -opioid agonist activity and pharmaceuticals containing the same SSP Co., Ltd. (JP) 2001-05-09 EP disclosed
US-5994372-A ANTIDIARRHEA COMPOUND REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-30 US disclosed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP disclosed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO 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 (2 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-20130040965-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 CYP1A2 321/4885OPRM1 2/4885DRD3 94/4885
US-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same OPRD1, OPRM1, OPRK1 CYP1A2 262/4885OPRM1 2/4885DRD3 95/4885

“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.