SCHEMBL2208210

SCHEMBL2208210

CCC1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
MIF P14174 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SSTR5 P35346 2/20 0.32
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR1 P21453 1/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 1/20 0.31
KIF11 P52732 1/20 0.31
PKM P14618 1/20 0.31
EP300 Q09472 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4641139 0.93 CHRNB4 (0.37) CHRNB4CHRNA3MIFALDH1A1RECQL
SCHEMBL2206353 0.85 CHRNB4 (0.34) CHRNB4CHRNA3MIFNPC1RAB9A
SCHEMBL2208302 0.80 CHRNB4 (0.42) CHRNB4CHRNA3SSTR5NLRP3ALDH1A1
SCHEMBL2206356 0.80 CHRNB4 (0.39) CHRNB4CHRNA3MIFNPC1RAB9A
SCHEMBL12434594 0.78 CHRNB4 (0.37) CHRNB4CHRNA3ALDH1A1
SCHEMBL4640229 0.75 CHRNB4 (0.42) CHRNB4CHRNA3NLRP3S1PR1RECQL
SCHEMBL2210658 0.74 CHRNB4 (0.36) CHRNB4CHRNA3MIFNPC1RAB9A
SCHEMBL16175483 0.72 RAB9A (0.37) CHRNB4CHRNA3MIFNPC1RAB9A
SCHEMBL5124118 0.72 KMT2A (0.38) NPC1RAB9AEP300
SCHEMBL2211388 0.72 KMT2A (0.44) NPC1RAB9AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 CHRNB4 4783/4885CHRNA3 4690/4885MIF 1925/4885

“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.