SCHEMBL5528826

SCHEMBL5528826

c1ccc2c3c([nH]c2c1)[C@@H](c1ccc2c(c1)CCO2)NCC3

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ DRD2 P14416 2/20 0.59
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ PDE5A O76074 4/20 0.51
▸ PRMT5 O14744 4/20 0.50
▸ EGFR P00533 3/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14599797 1.00 HTR7 (0.61) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL2504528 1.00 HTR7 (0.61) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL5532312 1.00 HTR7 (0.61) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL7491493 0.88 HTR7 (0.64) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL7492089 0.83 HTR7 (0.65) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL5740140 0.83 HTR7 (0.65) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL5790730 0.83 HTR7 (0.65) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL2502972 0.83 PDE5A (0.60) PDE5A
SCHEMBL2509857 0.83 PDE5A (0.60) PDE5A
Hydrochloric Acid SCHEMBL5537994 0.82 PDE5A (0.59) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 — — US disclosed
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 — — US disclosed
WO-2010060228-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2010-06-03 — — WO disclosed
US-20080103164-A1 USEFUL COMPOUNDS FOR HPV INFECTION SMITHKLINE BEECHAM CORPORATION 2008-05-01 — — US disclosed
US-20080103164-A1 USEFUL COMPOUNDS FOR HPV INFECTION SMITHKLINE BEECHAM CORPORATION 2008-05-01 — — US disclosed
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 — — US disclosed
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 — — US disclosed
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 — — US disclosed
US-7022856-B2 Carboline derivatives LILLY ICOS LLC. (US) 2006-04-04 — — US disclosed
EP-1360185-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2005-08-24 — — EP disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 — — US disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 — — US disclosed
US-20020072055-A1 Iterative and regenerative DNA sequencing method THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-06-13 — — US disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 — — EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 — — US disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 — — US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 — — US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 — — US disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 — — EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 — — 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 (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-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES PDE1B, PDE3B, PDE1A HTR7 443/4885CYP3A4 177/4885CYP2D6 439/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1742/4885CYP3A4 683/4885CYP2D6 456/4885
US-20080103164-A1 USEFUL COMPOUNDS FOR HPV INFECTION TP53, POLI, PCNA HTR7 3742/4885CYP3A4 4050/4885CYP2D6 4192/4885
US-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives PDE5A, PDE3A, PDE3B HTR7 777/4885CYP3A4 155/4885CYP2D6 184/4885

“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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