SCHEMBL2585934

SCHEMBL2585934

Clc1ccc(C2CCC[N]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
HTR3A P46098 1/20 0.41
NOS3 P29474 1/20 0.37
MDM2 Q00987 1/20 0.34
SLC18A3 Q16572 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
GRIA4 P48058 1/20 0.34
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LIG1 P18858 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4766448 0.94 TAAR1 (0.41) TAAR1HTR3ANOS3MDM2SLC18A3
SCHEMBL2099827 0.82 CHKA (0.38) TAAR1HTR3A
SCHEMBL8004698 0.79 ESR2 (0.41) KDM1A
SCHEMBL5537503 0.79 CYP19A1 (0.36) SLC18A3KDM1AGRIA4LMNA
SCHEMBL10379980 0.79 KDM1A (0.42) NOS3KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL4751341 0.78 NOS1 (0.48) TAAR1SLC18A3KDM1AMAOBLMNA
SCHEMBL546334 0.78 NOS1 (0.48) TAAR1SLC18A3KDM1AMAOBLMNA
SCHEMBL3115176 0.78 NOS1 (0.48) TAAR1SLC18A3KDM1AMAOBLMNA
SCHEMBL2749914 0.77 CYP1A2 (0.39) LMNA
SCHEMBL9428267 0.75 SLC6A2 (0.38) LMNASLC6A2SLC6A4SLC6A3

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 7 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
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 TAAR1 939/4885HTR3A 3642/4885NOS3 811/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 TAAR1 103/4885HTR3A 585/4885NOS3 2228/4885

“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.