SCHEMBL2860848

SCHEMBL2860848

CC(NC(=O)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40
CACNA1G O43497 4/20 0.39
ALOX15 P16050 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2871222 0.85 NPSR1 (0.36) MAPK1NPSR1
SCHEMBL2865936 0.81 ROCK2 (0.39) LMNAUSP2MAPK1NPSR1TP53
SCHEMBL2860998 0.81 NPSR1 (0.41) LMNAPOLBNPSR1
SCHEMBL2868059 0.78 NPSR1 (0.39) LMNAGAAPOLBNPSR1ALDH1A1
SCHEMBL2861976 0.78 ALDH1A1 (0.40) HPGDLMNAPOLBNPSR1KDM4E
SCHEMBL2864536 0.78 MC4R (0.46) GAAPOLBNPSR1TP53ALDH1A1
SCHEMBL2865259 0.78 P2RX4 (0.40) MAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL2862020 0.78 HTR4 (0.39) MAPK1POLBNPSR1KDM4EALDH1A1
SCHEMBL2861932 0.78 ALDH1A1 (0.39) LMNAGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL2869730 0.77 SIGMAR1 (0.43) HPGDALOX15POLBNPSR1TP53

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-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 HPGD 1412/4885LMNA 4583/4885RECQL 4570/4885

“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.