SCHEMBL3971231

SCHEMBL3971231

CC(C)CC1CC1c1ccccc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
HTR2C P28335 11/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
HTR2B P41595 10/20 0.39
HTR2A P28223 7/20 0.39
NR1H4 Q96RI1 1/20 0.37
PARP1 P09874 1/20 0.36
TLR2 O60603 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL1798792 0.76 HTR2C (0.46) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL28789747 0.76 KDM4E (0.44) IRAK4PARP1KDM4EALDH1A1MAPT
SCHEMBL18016883 0.73 HTR2C (0.60) HTR2CHTR2BHTR2ASLC6A4
SCHEMBL8628022 0.73 KDM4E (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL1116597 0.73 KDM4E (0.44) IRAK4KDM4EALDH1A1MAPTHPGD
SCHEMBL30646221 0.72 KDM4E (0.47) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL9442852 0.71 OPRM1 (0.42) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL13742609 0.71 HTR2C (0.57) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL18016881 0.71 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL29818204 0.70 SLC9A1 (0.45) HTR2CKDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197925-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE SYNGENTA CROP PROTECTION, INC. (US) 2009-08-06 US disclosed
EP-1829865-A2 Chemical compounds Syngeta Participations AG (CH) 2007-09-05 EP disclosed
EP-1480955-B1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-27 EP disclosed
US-20050221989-A1 O-cyclopropyl-carboxanilides and their use as fungicides SYNGENTA CROP PROTECTION, INC. 2005-10-06 US disclosed
EP-1480955-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2004-12-01 EP disclosed
WO-2003074491-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-09-12 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 (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-20050221989-A1 O-cyclopropyl-carboxanilides and their use as fungicides CBR3, CBR1, CYP2E1 HTT 925/4885HTR2C 844/4885IRAK4 4337/4885
US-20090197925-A1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE CBR3, CBR1, CYC1 HTT 1035/4885HTR2C 971/4885IRAK4 3751/4885

“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.