SCHEMBL2535672

SCHEMBL2535672

COC(=O)N(C)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 3/20 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
SCHEMBL2536109 0.79 LMNA (0.55) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL28310488 0.79 PAX8 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL10344582 0.79 NOTUM (0.35) TSHRNOTUMRAB9ASMN1; SMN2NPC1
SCHEMBL2536746 0.79 NPSR1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL491229 0.79 RAB9A (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ALOX15
SCHEMBL5477265 0.78 MAPT (0.31) ALOX15L3MBTL1NPSR1ALDH1A1
SCHEMBL5476076 0.78 ALDH1A1 (0.31) ALOX15L3MBTL1NPSR1ALDH1A1
SCHEMBL2538488 0.78 ALOX15 (0.38) PGRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2536469 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL8861880 0.78 CA12 (0.47) PGRALOX15TSHRL3MBTL1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980381-A Substituted uracils and use thereof 拜耳医药股份有限公司 2016-09-28 CN disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
CN-1323289-A Aminoalcohol derivatives and their use as beta3Use of adrenergic agonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-11-21 CN 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 PGR 846/4885CHRNB2 217/4885CHRNB4 173/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 PGR 654/4885CHRNB2 299/4885CHRNB4 262/4885

“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.