SCHEMBL7826468

SCHEMBL7826468

CC(CC(N)=O)c1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.65
HTR2C P28335 2/20 0.65
HTR2B P41595 2/20 0.65
GPR84 Q9NQS5 3/20 0.53
FFAR1 O14842 2/20 0.53
MGAM O43451 7/20 0.51
GAA P10253 7/20 0.51
SI P14410 7/20 0.51
MGAM2 Q2M2H8 7/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
STAT3 P40763 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 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
SCHEMBL6982959 0.86 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL3656418 0.86 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL6986747 0.86 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL26890967 0.86 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL29611986 0.86 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84FFAR1
Ammonia Solution, Strong SCHEMBL11124638 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL29272546 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL27975035 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL29272526 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL29272698 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84FFAR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311876-B Heteroaryl estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2022-05-03 CN disclosed
EP-3472162-B1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-11-17 EP disclosed
EP-3472162-B1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-11-17 EP disclosed
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 US disclosed
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 US disclosed
EP-3472162-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2019-04-24 EP disclosed
CN-109311876-A heteroaryl estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2018-01-04 US disclosed
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2018-01-04 US disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
EP-0655196-B1 Agent and method for increasing sugar content and/or decreasing acid content in plant fruit AGENCY IND SCIENCE TECHN (JP) 1998-09-16 EP disclosed
EP-0652212-B1 Substituted fluorine-containing beta-indolebutyric acid derivatives, their preparation and their use as plant growth regulators AGENCY IND SCIENCE TECHN (JP) 1998-03-11 EP disclosed
US-5578552-A ADJUSTING SWEETNESS OF CITRUS FRUITS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY, (JP) 1996-11-26 US disclosed
US-5496794-A CONTROLLING LENGTH OF SPROUTING ROOTS, ADHESION TO SEEDS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1996-03-05 US disclosed
EP-0655196-A2 Agent and method for increasing sugar content and/or decreasing acid content in plant fruit Agency of Industrial Science and Technology of Ministry of International Trade and Industry (JP) 1995-05-31 EP disclosed
EP-0652212-A1 Substituted fluorine-containing beta-indolebutyric acid derivatives, their preparation and their use as plant growth regulators Agency of Industrial Science and Technology of Ministry of International Trade and Industry (JP) 1995-05-10 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 (2 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-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESRRA HTR2A 273/4885HTR2C 256/4885HTR2B 487/4885
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRA HTR2A 273/4885HTR2C 256/4885HTR2B 487/4885

“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.