SCHEMBL2864640

SCHEMBL2864640

O=C(NCCn1cccc1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.33
CREBBP Q92793 1/20 0.33
NAMPT P43490 1/20 0.31
MC4R P32245 2/20 0.31
TSHR P16473 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
SSTR4 P31391 1/20 0.30
HTR4 Q13639 1/20 0.30
KCNN4 O15554 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
SCHEMBL2862358 0.89 SMN1; SMN2 (0.38) NPSR1NAMPTTSHR
SCHEMBL2868696 0.87 SIGMAR1 (0.44) NPSR1TSHRHTR4
SCHEMBL2858188 0.86 L3MBTL1 (0.44) NPSR1HPGDTSHR
SCHEMBL2863108 0.86 L3MBTL1 (0.44) NPSR1HPGDTSHR
SCHEMBL2864536 0.86 MC4R (0.46) NPSR1MC4R
SCHEMBL2862082 0.85 HTR4 (0.43) NPSR1TSHRHTR4
SCHEMBL2869035 0.85 SMN1; SMN2 (0.43) HPGDTSHR
SCHEMBL2861377 0.85 NPSR1 (0.38) NPSR1HTR4
SCHEMBL2860998 0.84 NPSR1 (0.41) NPSR1MC4RTSHRSSTR4KCNN4
SCHEMBL2864346 0.84 HTT (0.39) NPSR1HTR4

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 211/4885HPGD 1412/4885CREBBP 1851/4885

“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.