SCHEMBL2583993

SCHEMBL2583993

CNC1c2ccccc2CCC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
CCR6 P51684 2/20 0.41
HTR2A P28223 3/20 0.40
HRH1 P35367 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP2D6 P10635 4/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP2C9 P11712 1/20 0.35
RET P07949 1/20 0.35
PRCP P42785 1/20 0.35

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
SCHEMBL16448780 0.83 PDPK1 (0.46) PDPK1CCR6HTR2AHRH1KDM1A
SCHEMBL2581679 0.81 PDPK1 (0.47) PDPK1HTR2AHRH1HTR2CHTR2B
SCHEMBL24388766 0.81 PDPK1 (0.47) PDPK1HTR2AHRH1HTR2CHTR2B
SCHEMBL10390191 0.75 CCR6 (0.36) PDPK1CCR6HTR2AHTR2CHTR2B
SCHEMBL9535362 0.75 CCR6 (0.36) PDPK1CCR6HTR2AHTR2CHTR2B
SCHEMBL9493200 0.74 PDPK1 (0.43) PDPK1HTR2AKDM1ARETPRCP
SCHEMBL8611199 0.74 HTR2A (0.44) PDPK1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL29447996 0.74 HTR2A (0.44) PDPK1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL28223707 0.74 PDPK1 (0.43) PDPK1CCR6HTR2AHTR2CHTR2B
SCHEMBL9493436 0.74 CCR6 (0.41) PDPK1CCR6HTR2CALDH1A1SLC6A3

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-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 PDPK1 2577/4885CCR6 4362/4885HTR2A 2824/4885

“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.