SCHEMBL2863463

SCHEMBL2863463

CS(=O)(=O)N(CCNC(=O)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
GFER P55789 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRL1 P41146 3/20 0.32
FKBP1A P62942 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL2869491 0.86 NPSR1 (0.35) NPSR1TSHRALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2869159 0.85 NPSR1 (0.35) NPSR1MEN1KMT2ATSHRALDH1A1
SCHEMBL2872946 0.85 NPSR1 (0.34) NPSR1MEN1KMT2ATSHRALDH1A1
SCHEMBL2865656 0.84 NPY5R (0.33) NPSR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL2869730 0.84 SIGMAR1 (0.43) NPSR1TSHRALDH1A1GFER
SCHEMBL2868400 0.80 OPRL1 (0.37) NPSR1MEN1KMT2ATSHRALDH1A1
SCHEMBL2864536 0.80 MC4R (0.46) NPSR1MEN1KMT2AALDH1A1CYP2C19
SCHEMBL2864887 0.79 NPSR1 (0.35) NPSR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2863761 0.79 NPSR1 (0.40) NPSR1MEN1KMT2AALDH1A1FKBP1A
SCHEMBL2863451 0.79 NPSR1 (0.36) NPSR1ALDH1A1OPRM1SMN1; SMN2

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 NPSR1 211/4885MEN1 4666/4885KMT2A 922/4885

“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.