SCHEMBL2811534

SCHEMBL2811534

c1ccc2c(c1)CCN1CCCC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 1.00
TAAR1 Q96RJ0 1/20 0.58
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51

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 SCHEMBL7509300 0.98 CHRNA7 (0.96) CHRNA7TAAR1OPRM1OPRK1OPRL1
Iodide SCHEMBL7016592 0.98 CHRNA7 (0.96) CHRNA7TAAR1OPRM1OPRK1OPRL1
SCHEMBL3475010 0.95 CHRNA7 (0.90) CHRNA7TAAR1OPRM1OPRK1OPRL1
SCHEMBL14239889 0.95 CHRNA7 (0.90) CHRNA7TAAR1OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL7516224 0.93 CHRNA7 (0.87) CHRNA7TAAR1OPRM1OPRK1OPRL1
Iodide SCHEMBL7847003 0.91 CHRNA7 (0.83) CHRNA7TAAR1OPRM1OPRK1OPRL1
SCHEMBL10753534 0.90 CHRNA7 (0.82) CHRNA7TAAR1OPRM1OPRK1OPRL1
SCHEMBL20137193 0.89 CHRNA7 (0.80) CHRNA7TAAR1OPRM1OPRK1OPRL1
SCHEMBL5899579 0.89 CHRNA7 (0.80) CHRNA7TAAR1OPRM1OPRK1OPRL1
Nitric Acid SCHEMBL7839376 0.88 CHRNA7 (0.77) CHRNA7TAAR1OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US disclosed
US-8273762-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2012-09-25 US disclosed
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-09-23 US disclosed
US-7754882-B2 Hexahydro-pyrrolo-isoquinoline compounds JANSSEN PHARMACEUTICA NV (BE) 2010-07-13 US disclosed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 US disclosed
EP-1212103-B1 4-FLUOROALKYL-3-HALOPHENYL NORTROPANES UNIV EMORY (US) 2004-11-03 EP disclosed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-20020099184-A1 4-Haloethenyphenyl tropane:serotonin transporter imaging agents ENERGY, UNITED STATES DEPARTMENT OF 2002-07-25 US disclosed
US-6399042-B1 HALOGEN RADIOLABELED IMAGING AGENTS FOR VISUALIZING THE LOCATION AND DENSITY OF SEROTONIN TRANSPORTER BY POSITRON EMISSION TOMOGRAPHY EMORY UNIVERSITY 2002-06-04 US disclosed
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed
EP-0130069-B1 HEXAHYDROPYRROLO (2,1-A) ISOQUINOLINE DERIVATIVES McNeilab, Inc. (US) 1990-12-12 EP disclosed
US-4719216-A Hexahydropyrrolo(2,1-A)isoquinoline derivatives as antidepressants MCNEILAB, INC. (US) 1988-01-12 US disclosed
US-4719216-A Hexahydropyrrolo(2,1-A)isoquinoline derivatives as antidepressants MCNEILAB, INC. (US) 1988-01-12 US disclosed
US-4595688-A Hexahydropyrrolo[2,1-a]isoquinoline derivatives and antidepressant use thereof MCNEILAB, INC. (US) 1986-06-17 US disclosed
US-4595688-A Hexahydropyrrolo[2,1-a]isoquinoline derivatives and antidepressant use thereof MCNEILAB, INC. (US) 1986-06-17 US disclosed
EP-0130069-A2 Hexahydropyrrolo (2,1-a) isoquinoline derivatives McNeilab, Inc. (US) 1985-01-02 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 (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-20020099184-A1 4-Haloethenyphenyl tropane:serotonin transporter imaging agents SLC6A4, SLC6A2, SLC6A3 CHRNA7 385/4885TAAR1 97/4885OPRM1 217/4885
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CHRNA7 313/4885TAAR1 130/4885OPRM1 159/4885
US-20100240648-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CHRNA7 313/4885TAAR1 130/4885OPRM1 159/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CHRNA7 313/4885TAAR1 130/4885OPRM1 159/4885

“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.