SCHEMBL18924366

SCHEMBL18924366

CN1CCN(c2cc(CC(C)(C)C)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.52
HRH3 Q9Y5N1 6/20 0.50
HRH2 P25021 2/20 0.46
HTR3A P46098 1/20 0.44
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL803499 0.88 HRH4 (0.48) HRH4HRH3HRH2OPRM1OPRL1
SCHEMBL18924322 0.86 HRH4 (0.50) HRH4HRH3KDM4EOPRM1OPRL1
SCHEMBL13028832 0.84 PIK3CA (0.50) OPRM1OPRL1
SCHEMBL24507651 0.83 HRH4 (0.54) HRH4HRH3HRH2HTR3AKDM4E
SCHEMBL12503866 0.83 HRH4 (0.56) HRH4HRH3HRH2HTR3AKDM4E
SCHEMBL23048717 0.81 HRH4 (0.55) HRH4HRH3HRH2HTR3AKDM4E
SCHEMBL23048736 0.79 HRH4 (0.52) HRH4HRH3HRH2HTR3AKDM4E
SCHEMBL2370607 0.79 HRH4 (0.52) HRH4HRH3HRH2HTR3AL3MBTL1
SCHEMBL23048785 0.78 HRH4 (0.51) HRH4HRH3HRH2HTR3AKDM4E
SCHEMBL14520903 0.78 HRH4 (0.51) HRH4HRH3HRH2HTR3AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 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-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN HRH4 2677/4885HRH3 2096/4885HRH2 2862/4885

“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.