SCHEMBL792588

SCHEMBL792588

CCCN1CCc2c(C)c3ccc(C(=O)O)cc3n2CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HPGD P15428 1/20 0.40
HCAR3 P49019 1/20 0.38
KDM2B Q8NHM5 4/20 0.36
SLC22A12 Q96S37 3/20 0.36
PTGER4 P35408 1/20 0.36
FABP4 P15090 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL792539 0.91 DRD3 (0.41) ALDH1A1MAPTSMN1; SMN2HTR2AHTR2C
SCHEMBL792524 0.81 FABP4 (0.45) ALDH1A1SMN1; SMN2HTR2AHTR2CHPGD
SCHEMBL792496 0.72 GAA (0.41) ALDH1A1MAPTHTR2AHTR2CHPGD
SCHEMBL792516 0.70 HTR7 (0.34) ALDH1A1MAPTHPGDFABP4
SCHEMBL792527 0.69 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2HTR2AHTR2C
SCHEMBL3604547 0.67 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2HTR2AHPGD
SCHEMBL5310198 0.66 HDAC6 (0.54) ALDH1A1MAPTSMN1; SMN2SIGMAR1KMT2A
SCHEMBL1305865 0.66 DRD2 (0.65) ALDH1A1MAPTSMN1; SMN2SIGMAR1KMT2A
SCHEMBL8242491 0.65 MTNR1B (0.45) ALDH1A1MAPTSMN1; SMN2HPGDHCAR3
Hydrochloric Acid SCHEMBL1841012 0.65 DRD2 (0.63) ALDH1A1MAPTSMN1; SMN2SIGMAR1KMT2A

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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885MAPT 3389/4885SMN1; SMN2 4306/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885MAPT 3389/4885SMN1; SMN2 4306/4885

“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.