SCHEMBL3324005

SCHEMBL3324005

C[C@@]1(CF)C[C@@H](N)c2cccc(F)c2O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
KDM1B Q8NB78 1/20 0.37
RCOR1 Q9UKL0 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
TRPV1 Q8NER1 11/20 0.35
CYP2D6 P10635 2/20 0.34
KCNN4 O15554 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL3323466 1.00 KDM1A (0.37) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL3321846 1.00 KDM1A (0.37) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL2317663 0.87 TRPV1 (0.41) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL2317667 0.87 TRPV1 (0.41) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL3323061 0.83 TRPV1 (0.40) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL3323057 0.83 TRPV1 (0.40) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL3320421 0.82 TRPM8 (0.40) KDM1ARCOR1HTR2CHTR2BTRPV1
SCHEMBL3323531 0.82 TRPV1 (0.43) KDM1AKDM1BRCOR1HTR2CHTR2B
SCHEMBL3322042 0.82 TRPM8 (0.40) KDM1ARCOR1HTR2CHTR2BTRPV1
SCHEMBL3323535 0.82 TRPV1 (0.43) KDM1AKDM1BRCOR1HTR2CHTR2B

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-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 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 (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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 KDM1A 3338/4885KDM1B 3558/4885RCOR1 462/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 KDM1A 3414/4885KDM1B 3679/4885RCOR1 451/4885

“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.