SCHEMBL7094447

SCHEMBL7094447

Cc1ccccc1C1CC1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.58
HTR2A P28223 1/20 0.58
HTR2B P41595 1/20 0.58
KDM1A O60341 12/20 0.57
KDM1B Q8NB78 2/20 0.57
MAOB P27338 8/20 0.48
MAOA P21397 7/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2B6 P20813 3/20 0.48
TAAR1 Q96RJ0 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 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
SCHEMBL7864324 1.00 HTR2C (0.58) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL7094448 1.00 HTR2C (0.58) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL25058901 0.83 HTR2C (0.59) HTR2CHTR2AHTR2BKDM1ATAAR1
SCHEMBL1643784 0.79 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL1643791 0.79 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL5004304 0.79 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL3841365 0.79 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL1643782 0.79 KDM1A (0.47) HTR2CHTR2AHTR2BKDM1AKDM1B
SCHEMBL15064669 0.77 HTR2C (0.45) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL807474 0.77 HTR2C (0.45) HTR2CHTR2AHTR2BKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829456-B2 Halogen substituted diketones, pyrazole compounds and processes for the manufacture of pyrazole compounds SOLVAY SA (BE) 2020-11-10 US disclosed
US-20190276409-A1 PROCESS FOR THE MANUFACTURE OF CARBOXYLIC ACIDS OR CARBOXYLIC ACID DERIVATIVES SOLVAY SA (BE) 2019-09-12 US disclosed
US-20190031616-A1 HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS SOLVAY SA (BE) 2019-01-31 US disclosed
US-20190031617-A1 PROCESS FOR THE MANUFACTURE OF CARBOXAMIDES SOLVAY SA (BE) 2019-01-31 US disclosed
CN-108779096-A A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2018-11-09 CN disclosed
CN-107200706-A Cyclopropylamine class compound of one class fluorine substitution and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-09-26 CN disclosed
WO-2017140593-A1 PROCESS FOR THE MANUFACTURE OF CARBOXAMIDES SOLVAY SA (BE) 2017-08-24 WO disclosed
US-20170217901-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE-4-CARBOXAMIDES SOLVAY SA (BE) 2017-08-03 US disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 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 (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-20190031617-A1 PROCESS FOR THE MANUFACTURE OF CARBOXAMIDES AADAC, PC, CPS1 HTR2C 1095/4885HTR2A 1981/4885HTR2B 1546/4885
US-20190276409-A1 PROCESS FOR THE MANUFACTURE OF CARBOXYLIC ACIDS OR CARBOXYLIC ACID DERIVATIVES CBX2, RCC2, PRXL2A HTR2C 2068/4885HTR2A 2098/4885HTR2B 2337/4885
US-20170217901-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE-4-CARBOXAMIDES HRH4, IL4I1, HRH3 HTR2C 725/4885HTR2A 2880/4885HTR2B 1326/4885
US-10829456-B2 Halogen substituted diketones, pyrazole compounds and processes for the manufacture of pyrazole compounds CYP3A4, PDXK, CYP3A43 HTR2C 2215/4885HTR2A 3584/4885HTR2B 3310/4885
US-20190031616-A1 HALOGEN SUBSTITUTED DIKETONES, PYRAZOLE COMPOUNDS AND PROCESSES FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS CYP3A4, PDXK, CYP3A43 HTR2C 2215/4885HTR2A 3584/4885HTR2B 3310/4885

“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.