SCHEMBL1460190

SCHEMBL1460190

Cc1cc(N2CCNCC2)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
ADRB1 P08588 4/20 0.47
NCF1 P14598 1/20 0.47
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
HRH4 Q9H3N8 2/20 0.44
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
PLD1 Q13393 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL20640242 0.84 CNR2 (0.41) CYP1A2HRH4ALDH1A1JAK2JAK1
SCHEMBL30343272 0.84 ADRB1 (0.50) CYP1A2ADRB1NCF1CHRNB2CHRNA4
SCHEMBL1460126 0.80 ALDH1A1 (0.58) CYP1A2ALDH1A1CASP1
SCHEMBL22115009 0.80 ALDH1A1 (0.38) CYP1A2ALDH1A1JAK2JAK1TYK2
SCHEMBL21768458 0.79 OPRM1 (0.46) JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL25311811 0.79 CHRNB2 (0.53) CYP1A2ADRB1NCF1CHRNB2CHRNA4
SCHEMBL21652561 0.79 CYP1A2 (0.46) CYP1A2ADRB1NCF1CHRNB2CHRNA4
SCHEMBL1740261 0.78 TLR8 (0.40) CYP1A2ALDH1A1JAK2JAK1TYK2
SCHEMBL15205378 0.78 ALDH1A1 (0.40) CYP1A2ALDH1A1JAK2JAK1TYK2
SCHEMBL23560716 0.76 TAAR1 (0.47) CYP1A2ADRB1NCF1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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 (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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E CYP1A2 1233/4885ADRB1 71/4885NCF1 3313/4885

“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.