SCHEMBL2864543

SCHEMBL2864543

O=C(Nc1ccc(F)cc1)C1CNCC2C(=O)OC(c3cccc(F)c3)(c3cccc(F)c3)N12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.35
KCNN4 O15554 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MC4R P32245 1/20 0.34

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
SCHEMBL2856717 0.91 NPSR1 (0.46) POLBSMN1; SMN2LMNANPSR1KMT2A
SCHEMBL2863274 0.88 ALDH1A1 (0.41) POLBNPSR1KMT2AMEN1NPC1
SCHEMBL2856685 0.87 NPSR1 (0.49) NPSR1KMT2AMEN1TSHRKCNN4
SCHEMBL2870723 0.82 MEN1 (0.39) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL2864826 0.82 F10 (0.40) POLBLMNANPSR1RAB9A
SCHEMBL2860452 0.82 GRIN2B (0.43) SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL2862239 0.81 HTT (0.39) POLBSMN1; SMN2NPSR1KMT2A
SCHEMBL6039852 0.81 NPSR1 (0.36) POLBSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL2866314 0.81 KMT2A (0.46) POLBSMN1; SMN2LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL2861673 0.81 NPSR1 (0.35) POLBSMN1; SMN2NPSR1KMT2AMEN1

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 POLB 3625/4885SMN1; SMN2 4533/4885LMNA 4583/4885

“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.