SCHEMBL3734740

SCHEMBL3734740

NC(=O)Oc1ccc(CC[CH]c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
CCR6 P51684 1/20 0.40
UBE2N P61088 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 2/20 0.39
CYP1A2 P05177 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL3741169 0.85 KMT2A (0.54) TAAR1KMT2AALDH1A1MAOBTHRB
SCHEMBL3743690 0.82 KIF11 (0.60) TAAR1ALDH1A1MAOBCYP1A2
SCHEMBL3732183 0.82 KIF11 (0.60) TAAR1ALDH1A1MAOBCYP1A2
SCHEMBL3732868 0.79 ALDH1A1 (0.47) KMT2AKDM4ENPC1LMNAALDH1A1
SCHEMBL3746344 0.79 TRPM5 (0.54) KMT2ANPC1LMNARAB9AUBE2N
SCHEMBL81261 0.79 MEN1 (0.52) KMT2ANPC1RAB9APPARAMAOB
SCHEMBL14785651 0.76 KMT2A (0.43) KMT2AKDM4ELMNARAB9AALDH1A1
SCHEMBL3736072 0.75 KIF11 (0.42) KMT2AMAOBTHRB
SCHEMBL11903558 0.74 KMT2A (0.44) KMT2AKDM4ELMNARAB9AALDH1A1
SCHEMBL27811355 0.73 MAPT (0.46) TAAR1KMT2ANPC1LMNARAB9A

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
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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 (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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 TAAR1 34/4885KMT2A 364/4885KDM4E 1317/4885

“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.