SCHEMBL3736155

SCHEMBL3736155

O=C(Cc1cc(F)ccc1F)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
DPP4 P27487 9/20 0.43
DPP7 Q9UHL4 6/20 0.43
DPP9 Q86TI2 7/20 0.42
DPP8 Q6V1X1 4/20 0.42
MAPK8 P45983 1/20 0.42
GRIN2B Q13224 1/20 0.40
RIPK1 Q13546 1/20 0.40
RAB9A P51151 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL3733288 0.86 L3MBTL1 (0.49) SIGMAR1L3MBTL1GAAMAPK8GRIN2B
SCHEMBL1474719 0.80 SIGMAR1 (0.72) SIGMAR1
SCHEMBL3734917 0.80 DPP4 (0.38) L3MBTL1DPP4DPP7DPP9DPP8
SCHEMBL243780 0.79 ALDH1A1 (0.47) SIGMAR1GAARAB9A
SCHEMBL1477856 0.78 SLC6A4 (0.47) SIGMAR1L3MBTL1GAA
SCHEMBL6858298 0.77 CES2 (0.48) SIGMAR1DPP4DPP7DPP9DPP8
SCHEMBL3744223 0.77 P2RX7 (0.39) RIPK1CES2CES1
SCHEMBL29471363 0.76 TSHR (0.53) SIGMAR1MAPK8RIPK1CES2CES1
SCHEMBL503667 0.76 TSHR (0.53) SIGMAR1MAPK8RIPK1CES2CES1
SCHEMBL28061383 0.76 CES2 (0.47) SIGMAR1DPP4DPP7DPP9DPP8

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 SIGMAR1 262/4885L3MBTL1 926/4885GAA 4572/4885

“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.