SCHEMBL2862071

SCHEMBL2862071

O=C(O)C(c1ccccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
HSD11B1 P28845 6/20 0.34
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNN4 O15554 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2C19 P33261 3/20 0.31
RAB9A P51151 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2860848 0.76 HPGD (0.42) NPSR1POLBLMNA
SCHEMBL2863989 0.75 KCNQ3 (0.39) NPSR1
SCHEMBL2871880 0.74 NPSR1 (0.40) NPSR1RAB9ALMNA
SCHEMBL2856555 0.74 NPSR1 (0.38) NPSR1KCNN4POLB
SCHEMBL2865327 0.73 LMNA (0.38) NPSR1CYP2C9RAB9AOPRM1OPRL1
SCHEMBL2860998 0.73 NPSR1 (0.41) NPSR1KCNN4POLBLMNA
SCHEMBL2865936 0.73 ROCK2 (0.39) NPSR1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL2871222 0.73 NPSR1 (0.36) NPSR1
SCHEMBL2866704 0.73 NPSR1 (0.38) NPSR1
SCHEMBL2866028 0.72 NPSR1 (0.40) NPSR1SLC6A4SLC6A3

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-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

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 211/4885HSD11B1 823/4885SLC6A4 1960/4885

“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.