SCHEMBL5159016

SCHEMBL5159016

Fc1cc(F)cc(COC2CCNCC2c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.48
TACR1 P25103 6/20 0.48
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
THPO P40225 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5156280 0.85 REN (0.48) RENTACR1MAPT
SCHEMBL5161677 0.84 TACR1 (0.70) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4492783 0.83 TACR1 (0.69) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4492786 0.83 TACR1 (0.69) TACR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4492777 0.83 TACR1 (0.69) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5158455 0.78 TACR1 (0.56) TACR1SLC6A4TP53CYP1A2CYP3A4
SCHEMBL5158767 0.78 SLC6A2 (0.46) RENTACR1SLC6A2SLC6A4SLC6A3
SCHEMBL4496397 0.76 TACR1 (0.55) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4496405 0.76 TACR1 (0.55) TACR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4496401 0.76 TACR1 (0.55) TACR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 REN 610/4885TACR1 2/4885SLC6A2 628/4885

“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.