SCHEMBL5740140

SCHEMBL5740140

c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)NCC3

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.65
▸ DRD2 P14416 2/20 0.65
▸ CHRM4 P08173 1/20 0.65
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR2C P28335 2/20 0.53
▸ PRMT5 O14744 4/20 0.52
▸ EGFR P00533 2/20 0.51
▸ RAD52 P43351 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
SCHEMBL5790730 1.00 HTR7 (0.65) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL7492089 1.00 HTR7 (0.65) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL7491493 0.93 HTR7 (0.64) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL764669 0.85 HTR2C (0.67) HTR2AHTR2C
SCHEMBL7491550 0.85 HTR2A (0.67) HTR2AHTR2C
SCHEMBL2504528 0.83 HTR7 (0.61) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL5528826 0.83 HTR7 (0.61) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL5532312 0.83 HTR7 (0.61) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL14599797 0.83 HTR7 (0.61) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL30274351 0.82 HTR2A (0.74) HTR7DRD2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360186-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2006-11-22 — — EP disclosed
US-7122554-B2 Carboline derivatives LILLY ICOS LLC. (US) 2006-10-17 — — US disclosed
EP-1397361-B1 CARBOLINE DERIVATIVES AS PDEV INHIBITORS LILLY ICOS LLC (US) 2006-08-09 — — EP disclosed
US-7022856-B2 Carboline derivatives LILLY ICOS LLC. (US) 2006-04-04 — — US disclosed
US-6992192-B2 Carboline derivatives as PDE5 inhibitors LILLY ICOS LLC. (US) 2006-01-31 — — US disclosed
US-6984641-B2 Carboline derivatives as PDE5 inhibitors LILLY ICOS LLC. (US) 2006-01-10 — — US disclosed
EP-1360185-B1 CARBOLINE DERIVATIVES LILLY ICOS LLC (US) 2005-08-24 — — EP disclosed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 — — US disclosed
US-6864253-B2 Benzo[4,5]thieno[2,3-c]pyridine and Benzo[4,5]furo[2,3-c]pyridine Derivatives Useful as Inhibitors of Phosphodiesterase ORTH-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-08 — — US disclosed
US-20050026941-A1 Carboline derivatives as pde-5 inhibitors LILLY ICOS LLC 2005-02-03 — — US disclosed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 — — US disclosed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 — — 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-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1769/4885DRD2 2349/4885CHRM4 2211/4885
US-20050026941-A1 Carboline derivatives as pde-5 inhibitors PDE5A, PDE3B, PDE3A HTR7 709/4885DRD2 502/4885CHRM4 627/4885
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A HTR7 1337/4885DRD2 515/4885CHRM4 905/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1742/4885DRD2 2479/4885CHRM4 2053/4885
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A HTR7 1337/4885DRD2 515/4885CHRM4 905/4885

“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.

Send feedback