SCHEMBL4530898

SCHEMBL4530898

CC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
ACHE P22303 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
KCNH2 Q12809 6/20 0.51
OPRK1 P41145 6/20 0.50
OPRM1 P35372 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
SLC6A2 P23975 1/20 0.50
DRD3 P35462 1/20 0.50
CHRM3 P20309 1/20 0.49

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
SCHEMBL15014563 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5ACHEALDH1A1
SCHEMBL15425876 0.93 KMT2A (0.54) CHRM2CHRM4CHRM5ACHEALDH1A1
SCHEMBL15425872 0.93 KMT2A (0.54) CHRM2CHRM4CHRM5ACHEALDH1A1
SCHEMBL16281286 0.84 CHRM2 (0.53) CHRM2CHRM4CHRM5ACHEALDH1A1
SCHEMBL20483452 0.84 CHRM2 (0.64) CHRM2CHRM4CHRM5ALDH1A1CHRNB2
SCHEMBL16589590 0.82 SIGMAR1 (0.45) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL168286 0.81 CHRM2 (0.58) CHRM2CHRM4CHRM5ALDH1A1CHRNB2
SCHEMBL21772974 0.81 CHRM2 (0.58) CHRM2CHRM4CHRM5ALDH1A1CHRNB2
SCHEMBL21777244 0.81 CHRM2 (0.58) CHRM2CHRM4CHRM5ALDH1A1CHRNB2
SCHEMBL694189 0.81 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 WO disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP 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 (5 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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM4 4/4885CHRM5 5/4885
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 CHRM2 3717/4885CHRM4 3960/4885CHRM5 2194/4885
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS CCR5, CCR8, CCL5 CHRM2 861/4885CHRM4 1243/4885CHRM5 915/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM4 4/4885CHRM5 5/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 CHRM2 2188/4885CHRM4 2166/4885CHRM5 2622/4885

“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.