SCHEMBL3713495

SCHEMBL3713495

c1ccc([C@@H]2CCCC[C@H]2NC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.57
MAOB P27338 8/20 0.57
MAOA P21397 2/20 0.57
KDM1B Q8NB78 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
CISD1 Q9NZ45 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
GRIA4 P48058 2/20 0.47

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
SCHEMBL3713496 1.00 KDM1A (0.57) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL3713493 1.00 KDM1A (0.57) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL14685835 1.00 KDM1A (0.57) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL14685834 1.00 KDM1A (0.57) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL24426681 0.94 KDM1A (0.51) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL22924840 0.94 KDM1A (0.51) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL22673729 0.94 KDM1A (0.51) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL23584885 0.94 KDM1A (0.51) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL22510988 0.93 KDM1A (0.54) KDM1AMAOBMAOAKDM1BRCOR1
SCHEMBL19737312 0.93 KDM1A (0.54) KDM1AMAOBMAOAKDM1BRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398770-B1 FUNGICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDE, N-(BENZYLCYCLOALKYL)CARBOXAMIDE AND THIOCARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-12-28 EP disclosed
US-8372982-B2 Fungicidal N-(Phenylcycloalkyl)carboxamide, N-(Benzylcycloalkyl)carboxamide and thiocarboxamide derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
EP-2398770-A2 FUNGICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDE, N-(BENZYLCYCLOALKYL)CARBOXAMIDE AND THIOCARBOXAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-12-28 EP disclosed
US-20110306646-A1 FUNGICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDE, N-(BENZYLCYCLOALKYL)CARBOXAMIDE AND THIOCARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-12-15 US disclosed
WO-2010094666-A2 FUNGICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDE, N-(BENZYLCYCLOALKYL)CARBOXAMIDE AND THIOCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-08-26 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-20110306646-A1 FUNGICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDE, N-(BENZYLCYCLOALKYL)CARBOXAMIDE AND THIOCARBOXAMIDE DERIVATIVES CBR3, CBR1, NAT1 KDM1A 560/4885MAOB 972/4885MAOA 699/4885

“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.