SCHEMBL15087649

SCHEMBL15087649

N[C@@H]1CC(C(F)(F)F)Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.34
KDM1B Q8NB78 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
SLC6A4 P31645 2/20 0.31
MAOB P27338 1/20 0.30
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30

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
SCHEMBL14635368 0.79 MAOA (0.37) HTR2CHTR2BMAOBESR1ESR2
SCHEMBL3832964 0.77 KDM1A (0.37) KDM1AKDM1BSLC6A2SLC6A3HTR2C
SCHEMBL7019518 0.74 GRM2 (0.36)
SCHEMBL23423074 0.73 KMT2A (0.40)
SCHEMBL18383187 0.73 POLB (0.43) KDM1AKDM1BSLC6A2SLC6A3HTR2C
SCHEMBL18383190 0.73 POLB (0.43) KDM1AKDM1BSLC6A2SLC6A3HTR2C
SCHEMBL1980720 0.73 MAOB (0.41) KDM1AKDM1BSLC6A2SLC6A3SLC6A4
SCHEMBL1328841 0.73 POLB (0.43) KDM1AKDM1BSLC6A2SLC6A3HTR2C
SCHEMBL28513561 0.72 HTR2C (0.37) KDM1AKDM1BSLC6A2SLC6A3HTR2C
Hydrochloric Acid SCHEMBL28513964 0.71 HTR2C (0.39) KDM1AKDM1BSLC6A2SLC6A3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US 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-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 KDM1A 2848/4885KDM1B 3644/4885SLC6A2 785/4885

“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.