SCHEMBL3870099

SCHEMBL3870099

N#CC1=CCc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
HTT P42858 1/20 0.36
CYP2A6 P11509 1/20 0.35
USP8 P40818 2/20 0.35
USP7 Q93009 2/20 0.35
USP47 Q96K76 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SRD5A1 P18405 3/20 0.34
SRD5A2 P31213 1/20 0.34
AHR P35869 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
S100A4 P26447 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL9448107 0.82 HTT (0.41) METAP1HTTCYP2A6USP8USP7
SCHEMBL1530494 0.78 METAP1 (0.36) METAP1SRD5A1SRD5A2S100A4CYP19A1
SCHEMBL29544 0.71 METAP1 (0.39) METAP1HTTSRD5A1SRD5A2HTR2A
SCHEMBL6830270 0.67 METAP1 (0.37) METAP1HTTSRD5A1SRD5A2AHR
SCHEMBL15282381 0.64 SRD5A1 (0.64) METAP1HTTSRD5A1SRD5A2HTR2A
SCHEMBL29572171 0.64 METAP1 (0.57) METAP1HTTSRD5A1SRD5A2AHR
SCHEMBL1922789 0.64 METAP1 (0.57) METAP1HTTSRD5A1SRD5A2AHR
SCHEMBL10395493 0.63 GPR84 (0.38) CYP2A6USP8USP7USP47AHR
SCHEMBL17272413 0.62 CYP3A4 (0.35) METAP1HTTSRD5A1SRD5A2AHR
SCHEMBL17028333 0.62 HTR2A (0.42) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-7531661-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-05-12 US disclosed
US-20060047116-A1 Indane compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-02 US disclosed
EP-1581530-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-05 EP disclosed
WO-2004055012-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060047116-A1 Indane compounds as ccr5 antagonists CCR5, CCL5, IDO1 METAP1 1596/4885HTT 4616/4885CYP2A6 2228/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 METAP1 1596/4885HTT 4616/4885CYP2A6 2228/4885

“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.