SCHEMBL2210855

SCHEMBL2210855

c1ccc(C2=NOC3(CCC(c4ccccc4)CC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
NLRP3 Q96P20 1/20 0.38
RECQL P46063 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
SSTR5 P35346 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4640975 0.92 CHRNB4 (0.49) CHRNB4CHRNA3SLC18A3POLB
SCHEMBL4620189 0.90 NLRP3 (0.47) CHRNB4CHRNA3NLRP3RECQLALDH1A1
SCHEMBL2208302 0.87 CHRNB4 (0.42) CHRNB4CHRNA3NLRP3RECQLALDH1A1
SCHEMBL4639958 0.84 CHRNB4 (0.45) CHRNB4CHRNA3NLRP3SLC18A3ALDH1A1
SCHEMBL4621179 0.82 SCD5 (0.39) CHRNB4CHRNA3SLC18A3SIGMAR1ALDH1A1
SCHEMBL4639854 0.81 CYP2C9 (0.41) CHRNB4CHRNA3ALDH1A1KDM4ECYP1A2
SCHEMBL4640229 0.81 CHRNB4 (0.42) CHRNB4CHRNA3NLRP3RECQLSLC18A3
SCHEMBL12901458 0.80 SLC18A3 (0.37) SLC18A3SIGMAR1ALDH1A1ALOX15POLB
SCHEMBL12516740 0.80 ALDH1A1 (0.40) CHRNB4CHRNA3SLC18A3SIGMAR1ALDH1A1
SCHEMBL12901461 0.80 SLC18A3 (0.37) SLC18A3SIGMAR1ALDH1A1ALOX15POLB

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 4690/4885NLRP3 1799/4885

“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.