SCHEMBL4095097

SCHEMBL4095097

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
MTOR P42345 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
TSHR P16473 3/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2D6 P10635 4/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HRH4 Q9H3N8 8/20 0.55
HTR3A P46098 4/20 0.55
RAB9A P51151 2/20 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
SCHEMBL4095231 0.88 ACP1 (0.58) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL1083792 0.87 TSHR (0.74) ALDH1A1KDM4ETSHRMAPK1LMNA
SCHEMBL4095306 0.84 RAB9A (0.50) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4091890 0.84 NPSR1 (0.57) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4084671 0.84 HDAC3 (0.54) HDAC3MTORHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL7266340 0.83 SMN1; SMN2 (0.67) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4085025 0.83 ABCB1 (0.60) ALDH1A1KDM4ETSHRMAPK1LMNA
SCHEMBL1084034 0.81 MEN1 (0.74) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL1083838 0.81 MAPT (0.65) ALDH1A1KDM4ETSHRMAPK1LMNA
SCHEMBL4755939 0.81 ABCG2 (0.50) HDAC3MTORHDAC1HDAC2HDAC6

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 HDAC3 3168/4885MTOR 1146/4885HDAC1 4051/4885

“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.