SCHEMBL127733

SCHEMBL127733

Cc1ccccc1C(c1ccccc1)C(CN)CCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
CHRNA7 P36544 1/20 0.42
CYP2A13 Q16696 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DPP4 P27487 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
SCHEMBL170262 0.72 LMNA (0.46) ACHECHRNA7ALDH1A1KDM4ELMNA
SCHEMBL15220059 0.70 ACHE (0.54) ACHEALDH1A1
SCHEMBL2608042 0.70 ACHE (0.54) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL18799364 0.70 ACHE (0.54) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL15218157 0.68 ACHE (0.51) ACHEALDH1A1KMT2AKDM4ELMNA
SCHEMBL13271140 0.68 MEN1 (0.50) ACHENPSR1MEN1KMT2A
SCHEMBL13342873 0.68 HTR1A (0.62) ACHEALDH1A1
SCHEMBL1520775 0.68 HTR1A (0.62) ACHEALDH1A1
SCHEMBL18675972 0.68 ACHE (0.54) ACHEALDH1A1MEN1KMT2APOLB
SCHEMBL13343050 0.68 HTR1A (0.62) ACHEALDH1A1

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
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 ACHE 1498/4885CHRNA7 4157/4885CYP2A13 900/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ACHE 877/4885CHRNA7 4057/4885CYP2A13 1544/4885

“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.