SCHEMBL4093036

SCHEMBL4093036

CN1CCN(c2nc(C3CCCCC3)nc3cc(Cl)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.54
NTSR1 P30989 9/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.50
MTOR P42345 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PAX8 Q06710 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR3A P46098 1/20 0.45
MAT2A P31153 1/20 0.45

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
SCHEMBL4095812 0.91 HRH4 (0.57) HRH4NTSR1KDM4EALDH1A1MAPT
SCHEMBL4088803 0.90 NTSR1 (0.48) HRH4NTSR1PKMHSD17B10ALDH1A1
SCHEMBL4085177 0.90 NTSR1 (0.48) HRH4NTSR1PKMHSD17B10ALDH1A1
SCHEMBL4084654 0.86 PRKDC (0.47) HRH4NTSR1KDM4EALDH1A1MAPT
SCHEMBL4089276 0.84 NTSR1 (0.69) HRH4NTSR1KDM4EALDH1A1MAPT
SCHEMBL4091432 0.83 NTSR1 (0.64) HRH4NTSR1KDM4EHSD17B10ALDH1A1
SCHEMBL4085145 0.81 NTSR1 (0.65) HRH4NTSR1KDM4EHSD17B10ALDH1A1
SCHEMBL4095784 0.80 NTSR1 (0.50) HRH4NTSR1ALDH1A1MAPTPAX8
SCHEMBL4095451 0.77 NTSR1 (0.69) NTSR1KDM4EALDH1A1MAPTPAX8
SCHEMBL4095281 0.77 NTSR1 (0.49) HRH4NTSR1ALDH1A1MAPTPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 HRH4 14/4885NTSR1 337/4885KDM4E 1626/4885

“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.