SCHEMBL2863801

SCHEMBL2863801

O=C(NCc1ccc(F)cc1)C1CNCC2C(=O)OC(Cc3ccccc3)(Cc3ccccc3)N12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CACNA1G O43497 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 2/20 0.44
MC4R P32245 2/20 0.44
RAB9A P51151 2/20 0.40
ADRB2 P07550 1/20 0.40
APLNR P35414 1/20 0.40
GLP1R P43220 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2869725 0.88 MEN1 (0.42) ALDH1A1KMT2AMEN1CACNA1GNPSR1
SCHEMBL2856315 0.85 NPSR1 (0.58) ALDH1A1KMT2AMEN1CACNA1GNPSR1
SCHEMBL2867646 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CACNA1GNPSR1
SCHEMBL2865812 0.82 NPSR1 (0.51) ALDH1A1KMT2AMEN1CACNA1GNPSR1
SCHEMBL2856685 0.79 NPSR1 (0.49) ALDH1A1KMT2AMEN1CACNA1GNPSR1
SCHEMBL2861757 0.78 NPSR1 (0.47) ALDH1A1KMT2ANPSR1MC4RKDM4E
SCHEMBL2865427 0.78 HTR2C (0.33) ALDH1A1KMT2ANPSR1MC4RPOLB
SCHEMBL2871764 0.77 NPSR1 (0.48) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL2870790 0.77 NPSR1 (0.48) ALDH1A1KMT2AMEN1CACNA1GNPSR1
SCHEMBL2858851 0.76 NPSR1 (0.47) ALDH1A1CACNA1GNPSR1TSHRMC4R

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 ALDH1A1 2926/4885KMT2A 922/4885MEN1 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.