SCHEMBL4088950

SCHEMBL4088950

FC(F)(F)Oc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
LMNA P02545 1/20 0.65
GBA1 P04062 2/20 0.65
CYP1A2 P05177 5/20 0.60
USP2 O75604 4/20 0.60
CYP3A4 P08684 4/20 0.60
CLK4 Q9HAZ1 4/20 0.60
ALOX15 P16050 4/20 0.60
TSHR P16473 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2D6 P10635 2/20 0.60
ALDH1A1 P00352 5/20 0.60
TP53 P04637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
MAPK1 P28482 4/20 0.57
SIRT1 Q96EB6 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.55
CYP2C9 P11712 1/20 0.55
CASP7 P55210 1/20 0.55

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
SCHEMBL4085184 0.90 ACP1 (0.69) LMNAGBA1USP2TSHRALDH1A1
SCHEMBL4090887 0.88 ACP1 (0.70) LMNAGBA1USP2TSHRALDH1A1
SCHEMBL4090419 0.86 GBA1 (0.68) LMNAGBA1CYP1A2USP2CYP3A4
SCHEMBL1083909 0.86 HTT (0.71) HTTLMNAGBA1CYP1A2USP2
SCHEMBL4091461 0.85 HTT (0.73) HTTLMNAGBA1CYP1A2USP2
SCHEMBL3748887 0.84 HTT (0.84) HTTLMNAGBA1CYP1A2USP2
SCHEMBL13342122 0.83 HTT (0.74) HTTLMNAGBA1CYP1A2USP2
SCHEMBL1083793 0.81 HTT (0.74) HTTLMNAGBA1CYP1A2USP2
SCHEMBL1083989 0.81 HTT (0.74) HTTLMNAGBA1CYP1A2USP2
SCHEMBL23948080 0.80 GBA1 (0.63) GBA1CYP1A2ALOX15TSHRCYP2C19

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 HTT 4330/4885LMNA 2728/4885GBA1 2059/4885

“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.