SCHEMBL424822

SCHEMBL424822

CN(C(=O)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 5/20 0.51
LMNA P02545 4/20 0.49
KDM4E B2RXH2 2/20 0.49
CCR5 P51681 1/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
ALOX15 P16050 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL17819173 0.92 KDM4E (0.51) LMNAKDM4ECCR5MEN1ALOX15
SCHEMBL14937606 0.92 KDM4E (0.51) RAB9ANPC1LMNAKDM4ECCR5
SCHEMBL427261 0.92 CHRM2 (0.53) KMT2ADRD2DRD4DRD3HTR2A
SCHEMBL428152 0.91 DRD2 (0.50) CCR5DRD2DRD4DRD3HTR2A
SCHEMBL424816 0.90 DRD2 (0.57) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL525315 0.89 FAAH (0.58) CCR5HRH3
SCHEMBL14950181 0.89 DRD2 (0.50) SMN1; SMN2GAADRD2DRD4DRD3
SCHEMBL426011 0.89 DRD2 (0.50) CCR5DRD2DRD4DRD3HTR2A
SCHEMBL428114 0.88 CHRM4 (0.46) LMNATP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL427522 0.88 DRD2 (0.49) DRD2DRD4DRD3HTR2AHTR2C

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 12 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
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-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 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
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 RAB9A 806/4885NPC1 2780/4885LMNA 3564/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 RAB9A 2266/4885NPC1 446/4885LMNA 2523/4885

“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.