SCHEMBL4085162

SCHEMBL4085162

CC(=O)N1CCN(c2nc(C(C)c3ccccc3C)nc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.53
▸ NCF1 P14598 2/20 0.51
▸ SMO Q99835 1/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ AKT2 P31751 2/20 0.40
▸ AKT3 Q9Y243 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL4103685 0.88 MEN1 (0.57) GBA1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4097237 0.85 MEN1 (0.56) GBA1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL23877294 0.70 SMO (0.44) GBA1NCF1SMOCNR2
SCHEMBL4097324 0.70 ABCB1 (0.70) GBA1NCF1SMOCNR2CYP1A2
SCHEMBL4090816 0.70 HIF1A (0.68) GBA1NCF1CYP1A2CYP3A4ALDH1A1
SCHEMBL4090401 0.70 GBA1 (0.64) GBA1NCF1CYP1A2CYP3A4ALDH1A1
SCHEMBL3817430 0.69 CFTR (0.61) GBA1ALDH1A1KMT2A
SCHEMBL4085081 0.68 HTR3E (0.66) GBA1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL4094693 0.68 MEN1 (0.72) GBA1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL4085042 0.68 KMT2A (0.61) ALDH1A1HSD17B10TSHRNPY5RMEN1

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 4 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

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 GBA1 2059/4885NCF1 2161/4885SMO 750/4885

“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.

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