SCHEMBL5790730

SCHEMBL5790730

c1ccc2c3c([nH]c2c1)[C@@H](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
SCHEMBL5740140 1.00 HTR7 (0.65) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL7492089 1.00 HTR7 (0.65) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL7491493 0.93 HTR7 (0.64) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL7491550 0.85 HTR2A (0.67) HTR2AHTR2C
SCHEMBL764669 0.85 HTR2C (0.67) HTR2AHTR2C
SCHEMBL2504528 0.83 HTR7 (0.61) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL5532312 0.83 HTR7 (0.61) HTR7DRD2CHRM4CYP3A4CYP2D6
SCHEMBL5528826 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043422-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. (US) 2024-02-08 US disclosed
US-11613538-B2 Method of inhibiting or reducing a viral infection PTC THERAPEUTICS, INC. (US) 2023-03-28 US disclosed
EP-2434891-B9 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2021-05-05 EP disclosed
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION PTC THERAPEUTICS, INC. 2020-10-08 US disclosed
EP-3718405-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC Therapeutics, Inc. (US) 2020-10-07 EP disclosed
EP-2434891-B1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2020-07-22 EP disclosed
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-8703726-B2 Methods for treating prostate conditions PTC THERAPEUTICS, INC. (US) 2014-04-22 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040116458-A1 Chemical compounds LILLY ICOS LLC, A DELAWARE CORPORATION 2004-06-17 US disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 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

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

For each of this compound's patents that has machine-readable text (7 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-20240043422-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA HTR7 4366/4885DRD2 4856/4885CHRM4 4880/4885
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA HTR7 4356/4885DRD2 4856/4885CHRM4 4880/4885
US-20190194188-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA HTR7 4356/4885DRD2 4856/4885CHRM4 4880/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1742/4885DRD2 2479/4885CHRM4 2053/4885
US-20200317668-A1 METHOD OF INHIBITING OR REDUCING A CORONAVIRIDAE VIRUS INFECTION SARS1, POLRMT, EIF2AK2 HTR7 4102/4885DRD2 4751/4885CHRM4 4583/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1742/4885DRD2 2479/4885CHRM4 2053/4885
US-11613538-B2 Method of inhibiting or reducing a viral infection SARS1, EIF2AK2, POLRMT HTR7 3935/4885DRD2 4794/4885CHRM4 4749/4885

“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.