SCHEMBL1311064

SCHEMBL1311064

C[C@](Cc1ccc(O)cc1)(C(=O)O)N(Cc1ccncc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.47
ESR1 P03372 4/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
ESR2 Q92731 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1311281 0.89 MEN1 (0.44) BLMTSHRUSP2MEN1KMT2A
SCHEMBL1312472 0.87 PTPRB (0.43) BLMESR1TSHRUSP2ESR2
SCHEMBL1311029 0.83 BLM (0.43) BLMESR1TSHRUSP2ESR2
SCHEMBL1310603 0.82 MMP8 (0.44) KMT2ACYP3A4MAPTALDH1A1HTT
SCHEMBL1311213 0.81 ALDH1A1 (0.38) BLMLMNACYP3A4MAPTALDH1A1
Hydrochloric Acid SCHEMBL1310637 0.81 ALDH1A1 (0.37) BLMLMNACYP3A4MAPTALDH1A1
SCHEMBL1310654 0.81 CYP1A2 (0.43) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL1311319 0.80 TACR3 (0.43) BLMTSHRMEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL1311604 0.79 TACR3 (0.42) BLMTSHRMEN1KMT2ACYP2C9
SCHEMBL1312278 0.76 PTPRB (0.42) TSHRUSP2MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2310368-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2011-04-20 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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 BLM 4452/4885ESR1 1456/4885TSHR 241/4885

“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.