SCHEMBL4717674

SCHEMBL4717674

c1ccc(COc2ccc3c(c2)NCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.66
MAOA P21397 10/20 0.66
HRH3 Q9Y5N1 4/20 0.55
ALOX5 P09917 1/20 0.51
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49

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
SCHEMBL5211642 0.90 MAOB (0.61) MAOBMAOAHRH3ALOX5
SCHEMBL3875255 0.89 MAOA (0.68) MAOBMAOAHRH3ALOX5
Hydrochloric Acid SCHEMBL3902331 0.88 MAOA (0.66) MAOBMAOAHRH3ALOX5
SCHEMBL15897930 0.86 MAOA (0.50) MAOBMAOAHRH3
SCHEMBL15898249 0.84 MAOA (0.49) MAOBMAOA
SCHEMBL15897864 0.82 MAOA (0.47) MAOBMAOAHRH3
Hydrochloric Acid SCHEMBL3902342 0.82 MAOB (0.59) MAOBMAOAHRH3ALOX5
SCHEMBL31444064 0.81 MAOA (0.64) MAOBMAOAHRH3
SCHEMBL3077665 0.81 HRH3 (0.67) MAOBMAOAHRH3ALOX5
SCHEMBL13598169 0.81 MAOB (0.58) MAOBMAOAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-10246443-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-04-02 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
EP-2581372-A1 CYANOQUINOLINE DERIVATIVES Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2013-04-17 EP disclosed
WO-2011153942-A1 CYANOQUINOLINE DERIVATIVES 天津和美生物技术有限公司 (CN) 2011-12-15 WO disclosed
CN-101309904-A 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) WYETH CORP (US) 2008-11-19 CN disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
CN-1141633-A 4-heterocyclic substituted quinazoline derivatives, process for their preparation and their use as anticancer agents PFIZER (US) 1997-01-29 CN disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS MAOB 18/4885MAOA 13/4885HRH3 1760/4885
US-10246443-B2 Cyanoquinoline derivatives CBR3, CYP3A4, CDK1 MAOB 1410/4885MAOA 2022/4885HRH3 699/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MAOB 2507/4885MAOA 2604/4885HRH3 2801/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 MAOB 2507/4885MAOA 2604/4885HRH3 2801/4885

“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.