SCHEMBL10097506

SCHEMBL10097506

CCCn1c(-c2ccc(NC(=O)N(CC)CC)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSPO P30536 2/20 0.38
DYRK1A Q13627 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.37
ADORA1 P30542 1/20 0.36

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
SCHEMBL13152850 0.92 NPC1 (0.44) ROCK2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL13152142 0.88 ADORA2B (0.41) ADORA2BADORA2AMTNR1AMTNR1BNPC1
SCHEMBL10096634 0.86 ROCK2 (0.40) ROCK2ADORA2BADORA2AMTNR1AMTNR1B
SCHEMBL13153261 0.85 MTNR1B (0.49) ROCK2ADORA2BADORA2AMTNR1AMTNR1B
SCHEMBL10250706 0.85 MTNR1B (0.47) ADORA2BADORA2AMTNR1AMTNR1BKDM4E
SCHEMBL13152778 0.85 SMN1; SMN2 (0.43) ADORA2BADORA2AMTNR1BKDM4EALDH1A1
SCHEMBL13151937 0.84 PKM (0.42) ADORA2BADORA2AMTNR1BKDM4EALDH1A1
SCHEMBL13152223 0.84 NPC1 (0.50) ADORA2BADORA2AMTNR1AMTNR1BKDM4E
SCHEMBL10254338 0.83 PKM (0.44) MTNR1BALDH1A1HSD17B10NPC1RAB9A
SCHEMBL10097495 0.82 ALDH1A1 (0.47) ADORA2BADORA2AALDH1A1HSD17B10NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (2 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ROCK2 2887/4885ADORA2B 2015/4885ADORA2A 2039/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ROCK2 3333/4885ADORA2B 2903/4885ADORA2A 3370/4885

“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.