SCHEMBL24324296

SCHEMBL24324296

Clc1ccccc1CN1CCC[C@@]12CCNC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A13 Q16696 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HTT P42858 2/20 0.38
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CXCR4 P61073 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL19582597 0.92 MAPT (0.42) MAPTSIGMAR1CYP2A13KDM4EALDH1A1
SCHEMBL1556809 0.83 CYP2D6 (0.50) SIGMAR1ALDH1A1CYP2D6OPRM1
SCHEMBL4875396 0.77 CYP2D6 (0.55) SIGMAR1ALDH1A1CYP2D6SMN1; SMN2CXCR4
SCHEMBL19603306 0.76 CYP2D6 (0.41) SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL6284645 0.75 ALDH1A1 (0.41) SIGMAR1ALDH1A1HTTCYP2D6SMN1; SMN2
SCHEMBL21538553 0.74 MEN1 (0.50) SIGMAR1ALDH1A1CYP2D6SLC6A2SLC6A4
SCHEMBL323276 0.73 CYP2D6 (0.52) SIGMAR1ALDH1A1CYP2D6SMN1; SMN2CXCR4
SCHEMBL6012435 0.73 SIGMAR1 (0.53) SIGMAR1ALDH1A1CYP2D6CXCR4SLC6A2
SCHEMBL18917920 0.72 ALDH1A1 (0.56) MAPTSIGMAR1CYP2A13KDM4EALDH1A1
Hydrochloric Acid SCHEMBL322816 0.71 CYP2D6 (0.51) SIGMAR1ALDH1A1CYP2D6SMN1; SMN2CXCR4

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN MAPT 4494/4885SIGMAR1 3622/4885CYP2A13 4269/4885

“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.