SCHEMBL4085547

SCHEMBL4085547

Clc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.76
HIF1A Q16665 2/20 0.63
ACP1 P24666 2/20 0.63
SMAD3 P84022 1/20 0.61
KMT2A Q03164 5/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 4/20 0.60
HSD17B10 Q99714 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
TSHR P16473 4/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
LMNA P02545 3/20 0.60
MAPK1 P28482 3/20 0.60
METAP1 P53582 1/20 0.60
RAB9A P51151 1/20 0.60
USP2 O75604 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
SCHEMBL4084997 0.99 ABCB1 (0.78) ABCB1HIF1AACP1SMAD3KMT2A
SCHEMBL1083864 0.89 ABCB1 (0.64) ABCB1KMT2AMAPTMEN1HSD17B10
SCHEMBL4090291 0.88 ABCB1 (0.97) ABCB1HIF1AACP1SMAD3KMT2A
SCHEMBL1084135 0.87 ABCB1 (1.00) ABCB1HIF1AACP1SMAD3KMT2A
SCHEMBL4091151 0.85 ABCB1 (0.76) ABCB1HIF1AACP1SMAD3KMT2A
SCHEMBL4090318 0.85 ABCB1 (0.76) ABCB1HIF1AACP1SMAD3KMT2A
SCHEMBL4091214 0.84 GBA1 (0.60) ABCB1SMAD3KMT2AMAPTMEN1
SCHEMBL4756735 0.83 KMT2A (0.58) ABCB1HIF1AACP1SMAD3KMT2A
SCHEMBL4085035 0.83 ACP1 (0.81) ABCB1HIF1AACP1KMT2AMAPT
SCHEMBL1084186 0.81 ACP1 (0.81) ABCB1HIF1AACP1SMAD3KMT2A

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 ABCB1 2120/4885HIF1A 1496/4885ACP1 3504/4885

“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.