SCHEMBL804017

SCHEMBL804017

COOCc1ccc2c(C3CCCCC3)c(-c3cc(F)ccc3NC(=O)CCl)[nH]c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
KCNH2 Q12809 3/20 0.34
HTR2C P28335 2/20 0.34
DRD2 P14416 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
CHRM3 P20309 11/20 0.32
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
PARP14 Q460N5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL13286269 0.93 HTR2A (0.35) HTR2AKCNH2HTR2CDRD2MEN1
SCHEMBL803590 0.89 PARP14 (0.36) MEN1KMT2APARP14ALDH1A1
SCHEMBL10283244 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1RAB9A
SCHEMBL771436 0.86 PARP1 (0.43) HTR2AKCNH2HTR2CDRD2MEN1
SCHEMBL13285905 0.82 PARP14 (0.41) MEN1KMT2APARP14ALDH1A1
SCHEMBL10283243 0.81 HTR2A (0.39) HTR2AKCNH2HTR2CDRD2CCNT1
SCHEMBL13285903 0.75 ESR1 (0.33) HTR2AKCNH2HTR2CDRD2MEN1
SCHEMBL13965471 0.75 TUBB4A (0.33) HTR2AKCNH2HTR2CDRD2ALDH1A1
SCHEMBL772032 0.75 PARP1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL803802 0.74 BCHE (0.36) HTR2AKCNH2HTR2CDRD2ALDH1A1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HTR2A 4863/4885KCNH2 3813/4885HTR2C 4660/4885

“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.