SCHEMBL2862358

SCHEMBL2862358

O=C(NCCn1ccnc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
IDE P14735 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
NAMPT P43490 1/20 0.36
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2864640 0.89 NPSR1 (0.38) NAMPTNPSR1TSHR
SCHEMBL2868696 0.82 SIGMAR1 (0.44) RAB9ANPSR1MEN1TSHRKMT2A
SCHEMBL2858188 0.81 L3MBTL1 (0.44) KDM4EALDH1A1MAPTLMNARAB9A
SCHEMBL2864536 0.81 MC4R (0.46) ALDH1A1GAANPSR1MEN1KMT2A
SCHEMBL2862082 0.81 HTR4 (0.43) NPSR1TSHRPOLBCYP1A2
SCHEMBL2867140 0.80 NPSR1 (0.37) NPSR1
SCHEMBL2861377 0.80 NPSR1 (0.38) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2869730 0.80 SIGMAR1 (0.43) KDM4EALDH1A1HTTTHRBNPSR1
SCHEMBL2860998 0.80 NPSR1 (0.41) LMNANPSR1TSHRPOLB
SCHEMBL2864346 0.79 HTT (0.39) LMNAHTTNPSR1KMT2ACYP1A2

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 SMN1; SMN2 4533/4885OPRM1 647/4885OPRL1 214/4885

“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.