SCHEMBL1705067

SCHEMBL1705067

c1ccc(-c2nc(CNC3CCC(Oc4ccc5cnccc5c4)CC3)co2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.50
▸ DRD4 P21917 5/20 0.50
▸ DRD3 P35462 5/20 0.50
▸ ROCK1 Q13464 4/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ IKBKB O14920 5/20 0.43
▸ PRKCZ Q05513 1/20 0.42
▸ CHUK O15111 4/20 0.38
▸ LCK P06239 1/20 0.38
▸ ACSL1 P33121 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ FFAR1 O14842 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL13407470 0.82 DRD2 (0.50) DRD2DRD4DRD3ROCK1ROCK2
SCHEMBL1705238 0.81 ROCK1 (0.48) ROCK1ROCK2IKBKBPRKCZCHUK
SCHEMBL1705070 0.78 ROCK1 (0.53) ROCK1ROCK2IKBKBPRKCZCHUK
SCHEMBL1705674 0.78 ROCK1 (0.53) ROCK1ROCK2IKBKBPRKCZCHUK
SCHEMBL1705071 0.78 ROCK1 (0.53) ROCK1ROCK2IKBKBPRKCZCHUK
SCHEMBL1705048 0.78 ROCK1 (0.44) ROCK1ROCK2IKBKBPRKCZ
SCHEMBL1705005 0.77 ROCK1 (0.47) ROCK1ROCK2IKBKBPRKCZCHUK
SCHEMBL1705680 0.77 ALDH1A1 (0.54) ROCK1ROCK2IKBKBPRKCZHRH3
SCHEMBL1705299 0.77 ALDH1A1 (0.54) ROCK1ROCK2IKBKBPRKCZHRH3
SCHEMBL1705684 0.75 IKBKB (0.51) ROCK1ROCK2IKBKBPRKCZCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US claimed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP claimed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 — — US disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 — — EP disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 — — US disclosed
EP-2125746-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 — — EP disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — 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 (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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 DRD2 4551/4885DRD4 4630/4885DRD3 4639/4885

“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.

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