SCHEMBL14937837

SCHEMBL14937837

CN(C)c1ccc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 4/20 0.43
CES2 O00748 1/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 5/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
ACHE P22303 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR4 P51679 1/20 0.40
KCNH2 Q12809 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL427857 0.91 FAAH (0.44) FAAHCES2DRD2DRD4DRD3
SCHEMBL426018 0.89 FAAH (0.46) MAPTALDH1A1HTTSMN1; SMN2FAAH
SCHEMBL527421 0.88 CHRM2 (0.53) FAAHCES2DRD2DRD4DRD3
SCHEMBL14950156 0.87 DRD2 (0.45) ALDH1A1SMN1; SMN2FAAHCES2DRD2
SCHEMBL426177 0.86 DRD2 (0.45) ALDH1A1SMN1; SMN2FAAHCES2DRD2
SCHEMBL14937854 0.86 SIGMAR1 (0.49) MAPTALDH1A1SMN1; SMN2FAAHCES2
SCHEMBL424816 0.85 DRD2 (0.57) FAAHCES2DRD2DRD4DRD3
SCHEMBL427769 0.84 FAAH (0.57) MAPTALDH1A1HTTSMN1; SMN2FAAH
SCHEMBL14950181 0.83 DRD2 (0.50) SMN1; SMN2FAAHCES2DRD2DRD4
SCHEMBL428152 0.83 DRD2 (0.50) FAAHCES2DRD2DRD4DRD3

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-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 MAPT 2416/4885ALDH1A1 3556/4885HTT 1794/4885

“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.