SCHEMBL4196380

SCHEMBL4196380

c1ccc2c3c([nH]c2c1)C(NC1CCCCC1)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RB1 P06400 10/20 1.00
BRD3 Q15059 1/20 0.57
SIRT1 Q96EB6 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
CYP2D6 P10635 2/20 0.48
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CDC42 P60953 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL4162233 0.99 RB1 (1.00) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL4188706 0.86 RB1 (0.78) RB1BRD3SIRT1SIRT2CYP2D6
Hydrochloric Acid SCHEMBL4153425 0.85 RB1 (0.79) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL5456637 0.84 RB1 (0.72) RB1BRD3CYP2D6MEN1GLA
SCHEMBL21994173 0.83 RB1 (0.72) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL5456549 0.82 ALOX15 (0.70) RB1SIRT1SIRT2MEN1GLA
SCHEMBL14361410 0.82 RB1 (0.69) RB1BRD3CYP2D6MEN1GLA
SCHEMBL5456571 0.82 RB1 (0.69) RB1BRD3CYP2D6MEN1GLA
SCHEMBL5394699 0.82 RB1 (0.69) RB1BRD3CYP2D6MEN1GLA
SCHEMBL5456640 0.82 RB1 (0.69) RB1BRD3MEN1GLAMAPT

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-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 RB1 4460/4885BRD3 4059/4885SIRT1 418/4885

“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.