SCHEMBL3733288

SCHEMBL3733288

O=C(Cc1ccc(F)cc1F)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
GAA P10253 1/20 0.44
MAOB P27338 1/20 0.43
P2RX7 Q99572 2/20 0.43
MAPK8 P45983 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
RIPK1 Q13546 2/20 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
SCHEMBL1477856 0.91 SLC6A4 (0.47) L3MBTL1SIGMAR1ALDH1A1TDP1IDO1
SCHEMBL3736155 0.86 SIGMAR1 (0.46) L3MBTL1SIGMAR1GAAMAPK8GRIN2B
SCHEMBL3734917 0.80 DPP4 (0.38) L3MBTL1MAOBGRIN2B
SCHEMBL243780 0.79 ALDH1A1 (0.47) SIGMAR1ALDH1A1IDO1GAAMAOB
SCHEMBL1288294 0.77 IDO1 (0.48) SIGMAR1IDO1AGXTMAOBP2RX7
SCHEMBL3744223 0.77 P2RX7 (0.39) P2RX7CES2CES1RIPK1
SCHEMBL29459931 0.76 TSHR (0.53) SIGMAR1IDO1AGXTMAOBMAPK8
SCHEMBL503325 0.76 TSHR (0.53) SIGMAR1IDO1AGXTMAOBMAPK8
SCHEMBL23869529 0.75 RIPK1 (0.48) SIGMAR1ALDH1A1TDP1IDO1AGXT
SCHEMBL6544735 0.74 IDO1 (0.46) SIGMAR1IDO1AGXTMAOBP2RX7

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-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 L3MBTL1 926/4885SIGMAR1 262/4885ALDH1A1 1073/4885

“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.