SCHEMBL7147002

SCHEMBL7147002

NCC1CCN(c2ccnc(Cl)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
PTPN11 Q06124 3/20 0.47
PRKCQ Q04759 1/20 0.46
SORD Q00796 2/20 0.45
DKK1 O94907 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CCNT1 O60563 1/20 0.42
AKT2 P31751 1/20 0.42
GSK3B P49841 1/20 0.42
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
MEN1 O00255 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL14812355 0.88 HRH4 (0.48) HRH3PRKCQTRPV1HRH4
SCHEMBL4749195 0.85 SORD (0.51) HRH3SORDTRPV1HRH4
SCHEMBL3964095 0.83 HRH3 (0.69) HRH3PTPN11PRKCQSORDTRPV1
SCHEMBL25687781 0.82 SORD (0.43) HRH3PTPN11SORDTRPV1HRH4
Hydrochloric Acid SCHEMBL2276239 0.81 HRH3 (0.67) HRH3PTPN11PRKCQSORDTRPV1
SCHEMBL786734 0.80 OGA (0.51) HRH3SORDTRPV1HRH4
SCHEMBL3408440 0.80 TRPV1 (0.49) HRH3PTPN11SORDTRPV1CCNT1
SCHEMBL9347412 0.78 MALT1 (0.53) HRH3PTPN11PRKCQDKK1ROCK2
SCHEMBL10491677 0.77 SORD (0.39) HRH3SORDTRPV1HRH4SMO
SCHEMBL3650734 0.77 F10 (0.51) TRPV1HRH4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
EP-1349847-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-10-08 EP disclosed
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
WO-2002051831-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-04 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-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa F9, F11, F5 HRH3 1130/4885PTPN11 1851/4885PRKCQ 1524/4885
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP HRH3 1950/4885PTPN11 4327/4885PRKCQ 3295/4885

“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.