SCHEMBL4085145

SCHEMBL4085145

CN1CCN(c2nc(C3CCCC3)nc3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 3/20 0.65
HTR3E A5X5Y0 3/20 0.61
HTR3B O95264 3/20 0.61
HTR3A P46098 3/20 0.61
HTR3D Q70Z44 3/20 0.61
HTR3C Q8WXA8 3/20 0.61
HRH4 Q9H3N8 2/20 0.60
GBA1 P04062 2/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTR6 P50406 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL4091432 0.99 NTSR1 (0.64) NTSR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4089263 0.89 NTSR1 (0.64) NTSR1GBA1ALDH1A1KDM4ELMNA
SCHEMBL4259838 0.87 NTSR1 (0.62) NTSR1GBA1ALDH1A1KDM4ELMNA
SCHEMBL4090824 0.87 NTSR1 (0.62) NTSR1GBA1ALDH1A1KDM4ELMNA
SCHEMBL4097329 0.87 NTSR1 (0.62) NTSR1GBA1ALDH1A1KDM4ELMNA
SCHEMBL4089431 0.84 KDM4E (0.61) NTSR1GBA1ALDH1A1KDM4ELMNA
SCHEMBL4092375 0.83 ALDH1A1 (0.62) NTSR1GBA1ALDH1A1KDM4ELMNA
SCHEMBL4095812 0.81 HRH4 (0.57) NTSR1HTR3AHRH4ALDH1A1KDM4E
SCHEMBL4093036 0.81 HRH4 (0.54) NTSR1HTR3AHRH4ALDH1A1KDM4E
SCHEMBL4095451 0.79 NTSR1 (0.69) NTSR1HTR3AALDH1A1KDM4ELMNA

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 NTSR1 337/4885HTR3E 1076/4885HTR3B 520/4885

“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.