SCHEMBL427891

SCHEMBL427891

CCN1CCC(N(C)C(=O)n2cnc(-c3ccc(OC)c(OC)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ QPCT Q16769 1/20 0.42
▸ CCR5 P51681 2/20 0.41
▸ CTSD P07339 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ SIK1 P57059 1/20 0.39
▸ SIK2 Q9H0K1 1/20 0.39
▸ SIK3 Q9Y2K2 1/20 0.39
▸ TLR9 Q9NR96 3/20 0.39
▸ TLR7 Q9NYK1 3/20 0.39

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
SCHEMBL427432 0.92 SMN1; SMN2 (0.45) FAAHCES2QPCTCCR5CTSD
SCHEMBL427493 0.92 FAAH (0.46) FAAHCES2SIK1SIK2SIK3
SCHEMBL424915 0.92 FAAH (0.44) FAAHCES2QPCTCCR5ALDH1A1
SCHEMBL426170 0.89 FAAH (0.48) FAAHCES2CCR5CTSDACHE
SCHEMBL426013 0.88 KDM4E (0.49) QPCTCCR5ALDH1A1KDM4E
SCHEMBL427870 0.88 FAAH (0.58) FAAHCES2POLBGAANEK2
SCHEMBL424561 0.87 FAAH (0.59) FAAHCES2ALDH1A1POLBSMN1; SMN2
SCHEMBL428187 0.85 FAAH (0.49) FAAHCES2CCR5NEK2
SCHEMBL428163 0.85 FAAH (0.48) FAAHCES2ALDH1A1POLBSMN1; SMN2
SCHEMBL426166 0.84 FAAH (0.44) FAAHCES2CCR5KMT2A

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 11 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

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 FAAH 2166/4885CES2 463/4885QPCT 326/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885QPCT 264/4885

“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.

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