SCHEMBL5000672

SCHEMBL5000672

FC(F)(F)c1ccc(C2CC(N3CCCCC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
HTR2C P28335 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
TACR1 P25103 1/20 0.37
SLC6A4 P31645 1/20 0.37
LIPE Q05469 1/20 0.37
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL1003630 0.75 LTA4H (0.58) LTA4HKDM4ECYP2D6CYP2C19HRH3
SCHEMBL447088 0.74 LTA4H (0.72) LTA4HMEN1HPGDTSHRKMT2A
SCHEMBL3681390 0.72 HTR2C (0.66) HTR2CMEN1KMT2A
SCHEMBL21311651 0.71 HTR2C (0.49) HTR2CKDM4EALDH1A1HRH3
SCHEMBL25246705 0.71 HTR2C (0.53) HTR2C
SCHEMBL17147670 0.71 HTR2C (0.53) HTR2CHRH3LIPE
SCHEMBL25025483 0.71 HTR2C (0.53) HTR2C
SCHEMBL19733862 0.71 HTR2C (0.53) HTR2CKDM4EALDH1A1MEN1KMT2A
SCHEMBL17147671 0.71 HTR2C (0.53) HTR2CHRH3LIPE
SCHEMBL25024467 0.71 HTR2C (0.53) HTR2C

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-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (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-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 LTA4H 2266/4885HTR2C 1935/4885KDM4E 2103/4885

“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.