SCHEMBL2170178

SCHEMBL2170178

O=C(OCc1ccccc1)N1CC(=O)N1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
HSD11B1 P28845 2/20 0.43
EPHX2 P34913 3/20 0.43
HTR2C P28335 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F2 P00734 2/20 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
SCHEMBL2169251 0.81 HTR2C (0.42) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL2168875 0.77 HTR2C (0.40) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL2171858 0.74 PSEN1 (0.40) SMN1; SMN2NPC1RAB9AMAPK1PSEN1
SCHEMBL2170837 0.73 HSD11B1 (0.46) SMN1; SMN2GAAHSD11B1EPHX2CYP2C19
SCHEMBL29235094 0.72 NPC1 (0.61) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL2169761 0.70 HSD11B1 (0.46) SMN1; SMN2NPC1RAB9AGAAMAPK1
Adamantane SCHEMBL28194621 0.70 ALDH1A1 (0.81) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL2169393 0.70 EPHX2 (0.41) HSD11B1EPHX2ALDH1A1
SCHEMBL2169990 0.69 HSD11B1 (0.45) RAB9AHSD11B1MEN1KMT2ANPSR1
SCHEMBL2914776 0.69 KMT2A (0.54) SMN1; SMN2NPC1RAB9AGAAMAPK1

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-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 3043/4885NPC1 155/4885RAB9A 2687/4885

“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.