SCHEMBL3964481

SCHEMBL3964481

O=C1Nc2ccccc2CN1C1CCN(C2CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ OGFRL1 Q5TC84 1/20 0.49
▸ CALCRL Q16602 17/20 0.48
▸ RAMP1 O60894 4/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL2100919 0.92 BRD4 (0.50) CALCRLRAMP1CHRM4
SCHEMBL31184549 0.92 BRD4 (0.50) CALCRLRAMP1CHRM4
SCHEMBL31184539 0.92 BRD4 (0.50) CALCRLRAMP1CHRM4
Hydrochloric Acid SCHEMBL1812169 0.90 BRD4 (0.49) CALCRLRAMP1CHRM4
SCHEMBL5377735 0.87 OPRM1 (0.49) OPRM1OPRD1OPRK1OGFRL1CALCRL
SCHEMBL13801369 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1OGFRL1CALCRL
Acetic Acid SCHEMBL2211895 0.84 CALCRL (0.49) CALCRLRAMP1CHRM4
SCHEMBL14410235 0.84 CALCRL (0.51) OPRM1OPRD1OPRK1OGFRL1CALCRL
SCHEMBL14498119 0.83 PARP1 (0.50) CALCRLRAMP1CHRM4
SCHEMBL14044426 0.83 CALCRL (0.56) CALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 — — US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 — — US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 — — EP disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 — — US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 — — US disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 — — EP disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 — — CN disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 — — US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 — — US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 — — US disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 — — CN 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS OPRM1 10/4885OPRD1 109/4885OPRK1 69/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 OPRM1 3/4885OPRD1 61/4885OPRK1 45/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS OPRM1 6/4885OPRD1 63/4885OPRK1 72/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 OPRM1 3/4885OPRD1 61/4885OPRK1 45/4885

“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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