SCHEMBL4525359

SCHEMBL4525359

O=C(Nc1ccccc1)N1CCc2cc(-c3ccncc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.78
HTR2A P28223 9/20 0.78
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62
PKM P14618 1/20 0.62
NFKB1 P19838 1/20 0.62
RAB9A P51151 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
DGAT1 O75907 2/20 0.62
HTR2B P41595 2/20 0.58
GPR142 Q7Z601 1/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55

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
SCHEMBL8526803 0.87 HTR2C (1.00) HTR2CHTR2ACYP11B1CYP11B2
SCHEMBL16989923 0.83 HTR2C (0.67) HTR2CHTR2ANPC1TP53PKM
SCHEMBL4511041 0.83 HTR2A (0.58) HTR2CHTR2ATP53DGAT1CYP11B1
SCHEMBL10259875 0.83 HTR2A (0.58) HTR2CHTR2ADGAT1GPR142CYP11B1
Hydrochloric Acid SCHEMBL4531569 0.82 HTR2A (0.57) HTR2CHTR2ADGAT1GPR142CYP11B1
SCHEMBL13190607 0.81 DGAT1 (0.77) HTR2CHTR2ANPC1TP53PKM
SCHEMBL4512072 0.79 ROCK2 (0.55) HTR2CHTR2ADGAT1CYP11B1CYP11B2
SCHEMBL10197543 0.79 NPC1 (0.70) HTR2CHTR2ANPC1TP53PKM
SCHEMBL14826631 0.79 HTR2C (0.74) HTR2CHTR2ANPC1TP53PKM
SCHEMBL3029174 0.79 NPC1 (0.70) HTR2CHTR2ANPC1TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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 (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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA HTR2C 4403/4885HTR2A 3943/4885NPC1 1693/4885

“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.