SCHEMBL4095404

SCHEMBL4095404

Cc1ccccc1-c1nc(N2CCN(C)CC2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 1.00
CYP3A4 P08684 9/20 1.00
CYP2D6 P10635 8/20 1.00
ALDH1A1 P00352 5/20 1.00
HSD17B10 Q99714 2/20 1.00
TSHR P16473 8/20 0.74
MAPK1 P28482 7/20 0.74
CLK4 Q9HAZ1 6/20 0.74
USP2 O75604 3/20 0.74
ALOX15 P16050 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
CASP7 P55210 1/20 0.74
LMNA P02545 4/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPT P10636 2/20 0.64
RAD52 P43351 1/20 0.64
GBA1 P04062 1/20 0.63

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
SCHEMBL12721650 0.89 CYP1A2 (0.80) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL4084552 0.89 CYP1A2 (0.80) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL4084628 0.88 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL1084053 0.85 MEN1 (1.00) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL31612794 0.85 MEN1 (1.00) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL1083950 0.85 CYP3A4 (0.74) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL4084986 0.85 ABCB1 (0.78) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL4085036 0.85 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL1084026 0.85 HIF1A (0.76) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL6125247 0.83 TSHR (0.84) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10

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 CYP1A2 2477/4885CYP3A4 2113/4885CYP2D6 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.