SCHEMBL2852335

SCHEMBL2852335

O=C(N1CCC(NCc2ccccc2)C(OCC(F)F)C1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
BCHE P06276 5/20 0.40
ACHE P22303 5/20 0.40
BACE1 P56817 5/20 0.40
DRD4 P21917 1/20 0.39
TEAD1 P28347 3/20 0.38
TACR1 P25103 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL2852332 1.00 KDM1A (0.40) KDM1ABCHEACHEBACE1DRD4
SCHEMBL2848253 0.77 SMN1; SMN2 (0.42) BCHEACHEBACE1DRD4NPSR1
SCHEMBL2848250 0.77 SMN1; SMN2 (0.42) BCHEACHEBACE1DRD4NPSR1
SCHEMBL2848534 0.76 NPSR1 (0.39) BCHEACHEBACE1DRD4NPSR1
SCHEMBL2848531 0.76 NPSR1 (0.39) BCHEACHEBACE1DRD4NPSR1
SCHEMBL2857742 0.76 MEN1 (0.43) DRD4NPSR1MEN1KMT2AALDH1A1
SCHEMBL509084 0.76 MEN1 (0.43) DRD4NPSR1MEN1KMT2AALDH1A1
SCHEMBL15121687 0.75 MEN1 (0.43) BCHEACHEBACE1DRD4NPSR1
SCHEMBL2854745 0.74 DRD4 (0.38) BCHEACHEBACE1DRD4NPSR1
SCHEMBL2854747 0.74 DRD4 (0.38) BCHEACHEBACE1DRD4NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KDM1A 951/4885BCHE 2017/4885ACHE 1919/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A KDM1A 435/4885BCHE 1691/4885ACHE 2021/4885

“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.