SCHEMBL4095306

SCHEMBL4095306

CN1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccc(OC(F)(F)F)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HDAC3 O15379 1/20 0.50
MTOR P42345 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
EGLN1 Q9GZT9 1/20 0.49
GBA1 P04062 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
TSHR P16473 3/20 0.47
CYP1A2 P05177 3/20 0.47
USP2 O75604 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL4085088 0.90 EGLN1 (0.49) EGLN1GBA1MEN1KMT2ATSHR
SCHEMBL4084360 0.88 EGLN1 (0.52) EGLN1GBA1CYP1A2ALDH1A1KDM4E
SCHEMBL4095097 0.84 HDAC3 (0.62) RAB9ANPC1HDAC3MTORHDAC1
SCHEMBL4090457 0.84 ALDH1A1 (0.48) NPC1GBA1MEN1KMT2ACYP2D6
SCHEMBL4091249 0.84 CYP1A2 (0.54) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL4090419 0.83 GBA1 (0.68) RAB9ANPC1GBA1MEN1KMT2A
SCHEMBL1083792 0.77 TSHR (0.74) RAB9ANPC1GBA1MEN1KMT2A
Hydrochloric Acid SCHEMBL7266340 0.76 SMN1; SMN2 (0.67) RAB9AHDAC3MTORHDAC1HDAC2
SCHEMBL4100126 0.74 ABCB1 (0.64) RAB9AGBA1MEN1KMT2AMAPK1
SCHEMBL13135656 0.73 ADRB2 (0.70) MEN1KMT2AMAPK1CYP2D6TSHR

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 RAB9A 640/4885NPC1 1047/4885HDAC3 3168/4885

“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.