SCHEMBL4085104

SCHEMBL4085104

Cc1ccccc1Cc1nc(N2CCN(C)CC2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP3A4 P08684 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HTR6 P50406 2/20 0.58
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
HTR3A P46098 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
HRH4 Q9H3N8 2/20 0.56
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
HRH1 P35367 1/20 0.51
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
GBA1 P04062 1/20 0.50

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
SCHEMBL4096964 0.90 MEN1 (0.57) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL4097314 0.82 KMT2A (0.59) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4091121 0.79 HTR3E (0.62) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL4755931 0.79 MEN1 (0.56) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL4753603 0.76 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL4095404 0.75 CYP1A2 (1.00) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL5320912 0.73 HTR3B (0.69) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL13125713 0.73 HRH4 (1.00) ALDH1A1CYP1A2CYP2D6CYP3A4HSD17B10
SCHEMBL4754030 0.72 KMT2A (0.58) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4089290 0.72 KMT2A (0.58) ALDH1A1HTR3EHTR3BHTR3AHTR3D

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 ALDH1A1 4857/4885CYP1A2 2477/4885CYP2D6 3010/4885

“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.