SCHEMBL16212239

SCHEMBL16212239

NC1CCC1c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
KDM1A O60341 10/20 0.45
KDM1B Q8NB78 2/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
PNMT P11086 1/20 0.41
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
ABCB1 P08183 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL6905308 0.82 KDM1A (0.59) HTR2CHTR2BKDM1AKDM1BDRD3
SCHEMBL6901210 0.82 KDM1A (0.59) HTR2CHTR2BKDM1AKDM1BDRD3
SCHEMBL16586674 0.75 KDM1A (0.47) HTR2CHTR2BKDM1AKDM1BDRD2
SCHEMBL16586820 0.75 KDM1A (0.47) HTR2CHTR2BKDM1AKDM1BDRD2
SCHEMBL16586821 0.75 KDM1A (0.47) HTR2CHTR2BKDM1AKDM1BDRD2
SCHEMBL16586672 0.75 KDM1A (0.47) HTR2CHTR2BKDM1AKDM1BDRD2
SCHEMBL16585935 0.75 KDM1A (0.47) HTR2CHTR2BKDM1AKDM1BDRD2
SCHEMBL16585933 0.75 KDM1A (0.47) HTR2CHTR2BKDM1AKDM1BDRD2
Hydrochloric Acid SCHEMBL16587030 0.74 KDM1A (0.46) HTR2CHTR2BKDM1AKDM1BDRD2
Hydrochloric Acid SCHEMBL16585848 0.74 KDM1A (0.46) HTR2CHTR2BKDM1AKDM1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 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-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA HTR2C 1208/4885HTR2B 2084/4885KDM1A 2080/4885

“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.