SCHEMBL3055124

SCHEMBL3055124

N#Cc1ccc(C2(N)COC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
CYP19A1 P11511 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
MMP3 P08254 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL2111731 0.81 PGR (0.42) PGRLOXL2CYP2A6ALDH1A1CA12
Hydrochloric Acid SCHEMBL15486318 0.79 NOS3 (0.42) PGRLOXL2CYP2A6ALDH1A1CA12
SCHEMBL13152861 0.78 AKT1 (0.48) AKT1AKT2
SCHEMBL2326687 0.76 KCNH2 (0.42) PGRLOXL2CYP2A6ALDH1A1CA12
SCHEMBL516251 0.76 OPRM1 (0.45) PGRCYP2A6ALDH1A1CA12CA2
SCHEMBL516566 0.76 CACNA1H (0.46) PGRCYP2A6ALDH1A1CA12CA2
SCHEMBL10180619 0.72 TAAR1 (0.42) CYP2A6ALDH1A1
SCHEMBL19817412 0.72 MAOB (0.43)
SCHEMBL2327140 0.72 CACNA1H (0.49) PGRCYP2A6ALDH1A1CA12CA2
SCHEMBL9920452 0.72 PNMT (0.43)

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-20100261766-A1 Phenyl-Oxetanyl-Derivatives NOVARTIS AG (CH) 2010-10-14 US disclosed
EP-2227459-A2 PHENYL-OXETANYL-DERIVATIVES Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068682-A2 PHENYL-OXETANYL-DERIVATIVES NOVARTIS AG (CH) 2009-06-04 WO 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-20100261766-A1 Phenyl-Oxetanyl-Derivatives SSB, OAT, OTC PGR 1483/4885LOXL2 811/4885CYP2A6 349/4885

“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.