SCHEMBL3843643

SCHEMBL3843643

CCC1Cc2ccc(OC)cc2C1=O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.70
ACHE P22303 1/20 0.65
CYP19A1 P11511 2/20 0.52
CYP27A1 Q02318 1/20 0.46
CYP24A1 Q07973 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL14306761 0.88 METAP1 (0.72) METAP1ACHECYP19A1CYP27A1CYP24A1
SCHEMBL8028034 0.85 METAP1 (0.64) METAP1ACHECYP19A1CYP27A1CYP24A1
SCHEMBL8598724 0.84 METAP1 (0.69) METAP1ACHECYP19A1HTR2AHTR2C
SCHEMBL8874562 0.84 METAP1 (0.69) METAP1ACHECYP19A1HTR2AHTR2C
SCHEMBL8600912 0.82 METAP1 (0.64) METAP1ACHECYP19A1CYP24A1
SCHEMBL8873898 0.82 METAP1 (0.64) METAP1ACHECYP19A1CYP24A1
SCHEMBL8601454 0.81 METAP1 (0.62) METAP1ACHECYP19A1HTR2AHTR2C
SCHEMBL30667087 0.81 CYP19A1 (0.62) METAP1ACHECYP19A1CYP24A1
SCHEMBL8601453 0.81 METAP1 (0.62) METAP1ACHECYP19A1HTR2AHTR2C
SCHEMBL7784427 0.81 CYP19A1 (0.62) METAP1ACHECYP19A1CYP24A1

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
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A METAP1 3112/4885ACHE 2442/4885CYP19A1 1319/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A METAP1 3112/4885ACHE 2442/4885CYP19A1 1319/4885

“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.