SCHEMBL3453173

SCHEMBL3453173

c1ccc2c(c1)CCNC2CN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.56
PRCP P42785 5/20 0.56
SLC22A1 O15245 1/20 0.56
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL330238 0.98 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329925 0.98 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329828 0.98 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329886 0.87 OPRM1 (0.59) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL8790382 0.85 OPRM1 (0.49) OPRM1PRCPSLC22A1SMN1; SMN2KDM4E
SCHEMBL9530399 0.85 OPRM1 (0.54) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9423819 0.84 PRCP (0.56) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373828 0.82 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373834 0.82 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373842 0.82 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102040556-B Optical isomer of indene quinolone, preparation method and medical application thereof YANGTZE RIVER PHARM GROUP CO 2012-05-23 CN disclosed
CN-102040556-A Optical isomers of indene quinazoline, preparation method and medicinal application thereof YANGTZE RIVER PHARM GROUP CO 2011-05-04 CN disclosed
US-7820692-B2 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2010-10-26 US disclosed
US-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2009-11-05 US disclosed
CN-100503571-C Tetrahydro isoquinoline derivative and its preparation process and medicine use UNIV CHINA PHARMA (CN) 2009-06-24 CN disclosed
EP-2045243-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF China Pharmaceutical University (CN) 2009-04-08 EP disclosed
CN-1887872-A Tetrahydro isoquinoline derivative and its prepn process and medicine use UNIV CHINA PHARMACY (CN) 2007-01-03 CN disclosed
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed
EP-0370732-B1 Heterocyclic compounds containing nitrogen SMITHKLINE BEECHAM FARMA (IT) 1994-10-12 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed
EP-0232989-B1 ISOQUINOLINE DERIVATIVES Dr. Lo. Zambeletti S.p.A. (IT) 1991-08-21 EP disclosed
US-5041451-A Analgesics, hypotensive agents DR. LO. ZAMBELLETTI SPA (IT) 1991-08-20 US disclosed
EP-0374756-A2 Nitrogen-containing cyclic compounds MERCK PATENT GmbH (DE) 1990-06-27 EP disclosed
EP-0370732-A2 Heterocyclic compounds containing nitrogen SmithKline Beecham Farmaceutici S.p.A. (IT) 1990-05-30 EP disclosed
US-4806547-A Isoquinoline derivatives, analgesic compounds thereof and method of treating pain DR. LO. ZAMBELETTI SPA (IT) 1989-02-21 US disclosed
EP-0232989-A2 Isoquinoline derivatives Dr. Lo. Zambeletti S.p.A. (IT) 1987-08-19 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 (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-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof OPRK1, OPRD1, OPRL1 OPRM1 4/4885PRCP 4320/4885SLC22A1 2940/4885

“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.