SCHEMBL3077121

SCHEMBL3077121

N#CCCC1Cc2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.54
ACHE P22303 7/20 0.51
HTR2C P28335 3/20 0.51
DRD3 P35462 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
CYP19A1 P11511 1/20 0.50
DRD1 P21728 1/20 0.46
SIGMAR1 Q99720 1/20 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
SCHEMBL14355120 0.83 METAP1 (0.57) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL20359102 0.78 METAP1 (0.58) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL9324677 0.78 METAP1 (0.63) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL11770524 0.78 METAP1 (0.58) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL6271181 0.77 METAP1 (0.71) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL6270614 0.77 METAP1 (0.71) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL1853465 0.75 ACHE (0.63) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL677676 0.74 ACHE (0.58) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL21064364 0.74 METAP1 (0.58) METAP1ACHEHTR2CDRD3HTR1A
SCHEMBL29122994 0.74 METAP1 (0.58) METAP1ACHEHTR2CDRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221296-B1 FUSED INDANE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-05 EP disclosed
CN-101878201-B Fused indane compound ASTELLAS PHARMA INC 2012-09-05 CN disclosed
US-8211907-B2 Fused indane compound ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
CN-101878201-A Fused indane compound ASTELLAS PHARMA INC 2010-11-03 CN disclosed
US-20100267695-A1 FUSED INDANE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2221296-A1 FUSED INDANE COMPOUND Astellas Pharma Inc. (JP) 2010-08-25 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-20100267695-A1 FUSED INDANE COMPOUND GRIN2A, GRIN2C, GRIN1 METAP1 1317/4885ACHE 63/4885HTR2C 16/4885

“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.