SCHEMBL4200384

SCHEMBL4200384

Cc1csc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SLC6A7 Q99884 1/20 0.39
ALAD P13716 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
CYP2A6 P11509 1/20 0.37
PTGS2 P35354 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 2/20 0.37
CHEK1 O14757 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
BACE1 P56817 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 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
SCHEMBL695227 0.85 SLC6A7 (0.41) RAB9ANPC1SLC6A7MAPTALDH1A1
SCHEMBL2774954 0.80 CNR1 (0.44) CNR1RAB9ANPC1ALADMAPT
SCHEMBL25736152 0.80 AHR (0.48) RAB9AMAPTHDAC1HDAC2HDAC3
SCHEMBL28268808 0.79 HSD17B1 (0.55) SLC6A7HDAC1HDAC2HDAC3MEN1
SCHEMBL25735719 0.79 HDAC1 (0.40) RAB9ANPC1SLC6A7ALDH1A1PTGS2
SCHEMBL72613 0.78 AR (0.43) CNR1RAB9ANPC1SLC6A7CYP2A6
SCHEMBL28147641 0.77 HDAC1 (0.40) RAB9ANPC1SLC6A7MAPTALDH1A1
SCHEMBL4591082 0.77 CNR1 (0.41) CNR1RAB9ANPC1ALADMAPT
SCHEMBL1622506 0.76 TSHR (0.46) RAB9ANPC1SLC6A7MAPTALDH1A1
SCHEMBL1623822 0.76 NPC1 (0.40) RAB9ANPC1SLC6A7MAPTPOLB

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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
CN-101454328-A Novel mch receptor antagonists LILLY CO ELI (US) 2009-06-10 CN disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R CNR1 187/4885RAB9A 553/4885NPC1 1195/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R CNR1 189/4885RAB9A 600/4885NPC1 1178/4885

“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.