SCHEMBL5504975

SCHEMBL5504975

CCC(Oc1[c]cccc1)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KCNA5 P22460 7/20 0.35
CYP3A4 P08684 6/20 0.35
CYP2D6 P10635 6/20 0.35
CYP2C19 P33261 6/20 0.35
CYP1A2 P05177 5/20 0.35
CYP2C9 P11712 4/20 0.35
KCNH2 Q12809 4/20 0.35
KCNE1 P15382 2/20 0.35
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL3124832 0.87 GRM5 (0.35) KCNA5TSHRMEN1KMT2AALDH1A1
SCHEMBL1283403 0.80 KCNA5 (0.35) KCNA5CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL5163007 0.78 POLB (0.44) CHRM2CHRM1CHRM3KCNA5CYP3A4
SCHEMBL12130607 0.76 MEN1 (0.43) CHRM2CHRM1CHRM3KCNA5CYP3A4
SCHEMBL440263 0.75 MCHR1 (0.34) TSHRALDH1A1KDM4E
SCHEMBL4498294 0.75 SLC6A3 (0.34) CHRM2CHRM1CHRM3TSHRMEN1
SCHEMBL20703823 0.73 MCHR1 (0.33)
SCHEMBL11538270 0.73 TSHR (0.47) CYP2D6CYP2C19CYP1A2TSHRMEN1
SCHEMBL11539874 0.71 TSHR (0.44) CYP2D6CYP2C19CYP1A2TSHRMEN1
SCHEMBL8217121 0.70

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 CHRM2 1808/4885CHRM1 1245/4885CHRM3 1830/4885

“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.