SCHEMBL702800

SCHEMBL702800

CC(C=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNA5 P22460 5/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KCNE1 P15382 2/20 0.40
CYP2D6 P10635 1/20 0.40
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL20876038 0.81 SLC6A2 (0.47) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL6157911 0.79 SLC6A2 (0.45) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL4954290 0.79 SLC6A2 (0.45) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL225565 0.78 SLC6A3 (0.48) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
Formamide SCHEMBL28321660 0.78 CYP3A4 (0.49) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL17732794 0.78 SLC6A2 (0.44) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL17732800 0.78 SLC6A2 (0.44) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL243460 0.76
SCHEMBL17603147 0.76
SCHEMBL11877966 0.75 KDM4E (0.49) CYP3A4CYP1A2SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113073346-B Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-113073346-A Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2021-07-06 CN claimed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed
CN-113073346-B Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-113456634-A Pyrrolopyrrole compositions as Pyruvate Kinase (PKR) activators 福马治疗股份有限公司 2021-10-01 CN disclosed
CN-109311897-B Pyrrolopyrrole compositions as Pyruvate Kinase (PKR) activators 福马治疗股份有限公司 2021-07-20 CN disclosed
CN-113073346-A Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products 万华化学集团股份有限公司 2021-07-06 CN disclosed
EP-3148963-B1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-13 EP disclosed
US-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
EP-2294051-B1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0195817-B1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1989-10-18 EP disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4328363-A Manufacture of gamma halogen substituted adducts MOBIL OIL CORPORATION (US) 1982-05-04 US disclosed
US-4119646-A Hexahydrobenzofuranone compounds MOBIL OIL CORPORATION (US) 1978-10-10 US disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed
US-4011239-A MANGANESE, VANADIUM, CERIUM MOBIL OIL CORPORATION (US) 1977-03-08 US disclosed
US-3996164-A FROM COBALT CARBONYL AND A PYRIDINE AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1976-12-07 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 (1 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-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CYP3A4 321/4885CYP1A2 152/4885SLC6A3 481/4885

“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.