SCHEMBL2868959

SCHEMBL2868959

O=C1OC(c2cccc(F)c2)(c2cccc(F)c2)N2CCNCC12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
HTR2C P28335 9/20 0.37
HTR2B P41595 8/20 0.37
SLC6A9 P48067 3/20 0.37
OPRM1 P35372 2/20 0.37
HTR2A P28223 6/20 0.36
KDM1A O60341 2/20 0.35
KCNN4 O15554 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 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
SCHEMBL2856598 0.85 NPSR1 (0.46) NPSR1HTR2CHTR2BHTR2A
SCHEMBL2858343 0.84 NPSR1 (0.45) NPSR1HTR2CHTR2BSLC6A9OPRM1
SCHEMBL2859277 0.78 SLC6A3 (0.36) NPSR1HTR2CHTR2BSLC6A9OPRM1
SCHEMBL2868956 0.72 KCNN4 (0.40) NPSR1HTR2CHTR2BHTR2AKDM1A
SCHEMBL2869622 0.69 ATM (0.37) NPSR1OPRM1KCNN4
SCHEMBL2864855 0.69 KCNN4 (0.37) NPSR1SLC6A9OPRM1KCNN4
SCHEMBL2865914 0.68 HTR2C (0.34) HTR2CHTR2BHTR2A
SCHEMBL2856685 0.67 NPSR1 (0.49) NPSR1HTR2CHTR2BKCNN4
SCHEMBL2858344 0.67 HTR2C (0.38) NPSR1HTR2CHTR2BHTR2ACHRM2
SCHEMBL28956958 0.62 HTR2C (0.51) HTR2CHTR2BHTR2A

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 211/4885HTR2C 264/4885HTR2B 534/4885

“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.