SCHEMBL2863108

SCHEMBL2863108

O=C(NCCN1CCCCC1)C1CNCC2C(=O)OC(c3ccccc3)(c3ccccc3)N12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 2/20 0.39
SMAD3 P84022 1/20 0.39
RAB9A P51151 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
STAT3 P40763 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2858188 1.00 L3MBTL1 (0.44) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL2868696 0.99 SIGMAR1 (0.44) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL2867838 0.94 TSHR (0.48) L3MBTL1MEN1KMT2ATSHRCYP2D6
SCHEMBL2862082 0.91 HTR4 (0.43) SIGMAR1POLBTSHRNPSR1
SCHEMBL2869035 0.91 SMN1; SMN2 (0.43) L3MBTL1TSHRBCHEKDM4EHSD17B10
SCHEMBL2863395 0.91 HTR3A (0.40) L3MBTL1SIGMAR1MEN1KMT2ANPSR1
SCHEMBL2861377 0.91 NPSR1 (0.38) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL2867845 0.91 CYP3A4 (0.46) L3MBTL1MEN1KMT2APOLBTSHR
SCHEMBL2862002 0.90 CACNA1G (0.42) L3MBTL1SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL2864346 0.90 HTT (0.39) L3MBTL1SIGMAR1KMT2ANPSR1CYP2D6

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 L3MBTL1 2503/4885SIGMAR1 71/4885MEN1 4666/4885

“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.