SCHEMBL4540596

SCHEMBL4540596

O=Cc1cc(-c2ccccn2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
P2RX7 Q99572 2/20 0.45
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPY5R Q15761 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL20456826 0.87 ERN1 (0.48) ERN1P2RX7NPC1MAPTRAB9A
SCHEMBL32682146 0.81 ERN1 (0.51) ERN1L3MBTL1PIK3CDPIK3CAPI4KA
SCHEMBL28351187 0.81 ERN1 (0.55) ERN1NPC1MAPTRAB9ATP53
SCHEMBL12834413 0.81 ERN1 (0.58) ERN1
SCHEMBL3682653 0.81 ERN1 (0.51) ERN1RAB9AMAPK1PIK3CDPIK3CA
SCHEMBL30217896 0.79 SLC6A2 (0.42) ERN1GRM5
SCHEMBL28354852 0.79 ERN1 (0.50) ERN1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL28964539 0.79 SLC6A2 (0.42) ERN1GRM5
SCHEMBL15075728 0.79 NPC1 (0.62) P2RX7NPC1MAPTRAB9ANPY5R
SCHEMBL10041737 0.78 CCR1 (0.50) ERN1NPC1MAPTRAB9ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ERN1 3585/4885P2RX7 560/4885NPC1 1359/4885

“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.