SCHEMBL394169

SCHEMBL394169

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.55
OPRM1 P35372 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
OPRD1 P41143 1/20 0.51
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
CYP2C19 P33261 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL27434533 0.83 KCNN4 (0.55) KCNN4OPRM1MEN1KMT2AOPRD1
SCHEMBL13963989 0.81 KCNN4 (0.53) KCNN4OPRM1MEN1KMT2AOPRD1
SCHEMBL13979833 0.81 KCNN4 (0.67) KCNN4OPRM1MEN1KMT2AOPRD1
SCHEMBL27382896 0.80 KCNN4 (0.60) KCNN4OPRM1MEN1KMT2AOPRD1
SCHEMBL395172 0.80 CYP1A2 (0.43) OPRM1MEN1KMT2ASCN1ASCN2A
Hydrochloric Acid SCHEMBL27398566 0.79 KCNN4 (0.58) KCNN4OPRM1MEN1KMT2AOPRD1
Hydrochloric Acid SCHEMBL2395810 0.78 OPRM1 (0.42) OPRM1MEN1KMT2ASCN1ASCN2A
Hydrochloric Acid SCHEMBL10683907 0.77 KCNN4 (0.56) KCNN4OPRM1MEN1KMT2AOPRD1
SCHEMBL28542144 0.77 KCNN4 (0.60) KCNN4OPRM1MEN1KMT2AOPRD1
SCHEMBL2395807 0.77 OPRM1 (0.41) OPRM1MEN1KMT2AOPRD1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497287-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-30 US disclosed
US-20130040965-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-02-14 US disclosed
EP-2231589-B1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-02-13 EP disclosed
US-8314128-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-11-20 US disclosed
US-20120088794-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8101791-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-01-24 US disclosed
EP-2231589-A2 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-09-29 EP disclosed
WO-2009076399-A2 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-18 WO disclosed
US-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-7414062-B2 Triazaspiro compounds useful for treating or preventing pain PURDUE PHARMA L.P. (US) 2008-08-19 US disclosed
US-7414062-B2 Triazaspiro compounds useful for treating or preventing pain PURDUE PHARMA L.P. (US) 2008-08-19 US disclosed
EP-1097924-B1 4-hydroxy-4-phenylpiperidine derivatives having opioid agonist activity and pharmaceuticals containing the same SSP CO LTD (JP) 2004-08-25 EP disclosed
US-6362203-B1 ANALGESICS SSP CO., LTD (JP) 2002-03-26 US disclosed
CN-1304929-A 4-hydroxy-4-phenyl piperidine derivative and medicine containing said derivative SS PHARMACEUTICAL CO (JP) 2001-07-25 CN 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

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-20130040965-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 KCNN4 323/4885OPRM1 2/4885MEN1 3555/4885
US-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 KCNN4 323/4885OPRM1 2/4885MEN1 3555/4885
US-20120088794-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 KCNN4 323/4885OPRM1 2/4885MEN1 3555/4885

“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.