SCHEMBL21778636

SCHEMBL21778636

CCCC(C)(CC)CCCN1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PAOX Q6QHF9 1/20 0.37
GNAO1 P09471 3/20 0.36
GNAI3 P08754 2/20 0.36
GNAI1 P63096 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
USP2 O75604 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
KDM1A O60341 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
SCHEMBL20662073 0.90 CHRM4 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22877861 0.84 CXCR4 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18879327 0.82 GNAO1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18408989 0.82 SMN1; SMN2 (0.44) CHRM2CHRM1SIGMAR1USP2ALDH1A1
SCHEMBL19569948 0.81 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19200868 0.80 RAB9A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18737015 0.79 CHRM4 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18799740 0.78 RAB9A (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18852718 0.78 GNAI3 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23542114 0.77 ALDH1A1 (0.43) CHRM2CHRM1SIGMAR1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10576453-B2 Membrane fabrication methods using organosilica materials and uses thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-03-03 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-10576453-B2 Membrane fabrication methods using organosilica materials and uses thereof ZYX, GPX4, PLA2G2A CHRM2 2052/4885CHRM4 481/4885CHRM5 1901/4885

“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.