SCHEMBL2797162

SCHEMBL2797162

NC(=O)c1cc(C2CCOCC2)on1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 8/20 0.55
S1PR1 P21453 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMYD3 Q9H7B4 8/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL2619062 0.90 S1PR3 (0.55) S1PR3S1PR1NPC1RAB9ASMYD3
Hydrochloric Acid SCHEMBL28161316 0.88 S1PR3 (0.54) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL2799260 0.86 S1PR3 (0.60) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL21317622 0.85 S1PR3 (0.63) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL27006412 0.85 S1PR3 (0.56) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL2799191 0.85 S1PR3 (0.63) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL31643938 0.83 S1PR3 (0.42) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL27006476 0.76 TSHR (0.50) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL31644828 0.75 S1PR3 (0.47) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL2797164 0.75 S1PR3 (0.42) S1PR3S1PR1NPC1RAB9ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
US-8501756-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-08-06 US disclosed
US-8486954-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-16 US disclosed
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-8242125-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US 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 (3 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-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 S1PR3 2755/4885S1PR1 2741/4885NPC1 4183/4885
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases CDK2, PHKG1, PHKG2 S1PR3 2755/4885S1PR1 2741/4885NPC1 4183/4885
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 S1PR3 2755/4885S1PR1 2741/4885NPC1 4183/4885

“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.