SCHEMBL2870615

SCHEMBL2870615

O=C(Nc1ccc(F)cc1)C1CNCC2C(=O)OC(c3ccccc3)N12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
GRIN2B Q13224 1/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
S1PR1 P21453 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CACNA1H O95180 1/20 0.37
FAAH O00519 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2868978 0.85 ALDH1A1 (0.49) KMT2AMEN1TSHRALDH1A1
SCHEMBL2862145 0.76 ALDH1A1 (0.36) TSHRALDH1A1KDM4EGAA
SCHEMBL2858873 0.74 RECQL (0.35) KMT2AMEN1KDM4E
SCHEMBL2856717 0.74 NPSR1 (0.46) KMT2ALMNAMEN1GRIN2BTSHR
SCHEMBL2869725 0.71 MEN1 (0.42) KMT2ALMNAMEN1ALDH1A1
SCHEMBL2866314 0.71 KMT2A (0.46) KMT2ALMNAMEN1TSHRRXFP1
SCHEMBL30098497 0.67 ROCK2 (0.70) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL28778537 0.66 KMT2A (0.58) KMT2ALMNAMEN1TSHRALDH1A1
SCHEMBL2864826 0.65 F10 (0.40) LMNAALDH1A1FAAH
SCHEMBL2870723 0.65 MEN1 (0.39) KMT2AMEN1FAAH

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 KMT2A 922/4885LMNA 4583/4885MEN1 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.