SCHEMBL5445902

SCHEMBL5445902

N#Cc1ccc2c(C3CCCCC3)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.54
KCNH2 Q12809 12/20 0.54
HTR2C P28335 9/20 0.54
DRD2 P14416 5/20 0.47
CNR1 P21554 4/20 0.43

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
SCHEMBL11821618 0.81 HTR2A (0.74) HTR2AKCNH2HTR2CDRD2
SCHEMBL1173816 0.78 PARP1 (0.52) HTR2AKCNH2HTR2CDRD2
SCHEMBL1173665 0.73 KIF11 (0.55) HTR2AKCNH2HTR2CDRD2CNR1
SCHEMBL28465778 0.73 HTR2A (0.81) HTR2AKCNH2HTR2CDRD2
SCHEMBL3841026 0.73 HTR2A (0.55) HTR2AKCNH2HTR2CDRD2
SCHEMBL5423719 0.72 HTR2A (0.47) HTR2AKCNH2HTR2CDRD2
Hydrochloric Acid SCHEMBL5423933 0.71 HTR2A (0.46) HTR2AKCNH2HTR2CDRD2
SCHEMBL31060925 0.71 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL7962369 0.71 HTR2A (1.00) HTR2AKCNH2HTR2CDRD2
SCHEMBL5198654 0.71 PARP1 (0.52) HTR2AKCNH2HTR2CDRD2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT HTR2A 248/4885KCNH2 2111/4885HTR2C 80/4885

“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.