SCHEMBL3552887

SCHEMBL3552887

Cc1ccc(C(C(=O)O)c2ccc(F)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.39
FOLH1 Q04609 1/20 0.39
P2RY14 Q15391 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
EPHX2 P34913 1/20 0.36
HDAC4 P56524 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNJ11 Q14654 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34

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
SCHEMBL3554668 0.90 EPHX2 (0.41) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL3554264 0.87 EPHX2 (0.47) FOLH1POLBEPHX2HDAC4LMNA
SCHEMBL3556077 0.87 HDAC3 (0.44) FOLH1EPHX2HDAC4LMNAALDH1A1
SCHEMBL1502454 0.80 ALDH1A1 (0.48) POLBCNR1CNR2MEN1KMT2A
SCHEMBL3554154 0.80 KMT2A (0.46) FOLH1POLBMEN1KMT2ALMNA
SCHEMBL3551260 0.78 P2RX7 (0.42) CYP3A4HDAC4P2RX7
SCHEMBL29009823 0.76 PTGS2 (0.47) FOLH1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL1551142 0.75 CNR1 (0.56) CNR1CNR2HDAC4MEN1KMT2A
SCHEMBL22959425 0.73 ACHE (0.54) CYP3A4CYP2C19POLBCNR1CNR2
SCHEMBL31380294 0.73 CNR1 (0.40) POLBCNR1CNR2HDAC4MEN1

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
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR CTSA 1275/4885FOLH1 4579/4885P2RY14 575/4885

“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.