SCHEMBL11025707

SCHEMBL11025707

CC1(C(N)=O)CC(c2cccc(N3CCOCC3)c2)Nc2ccc([C]=O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ KMO O15229 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ F10 P00742 6/20 0.35
▸ F11 P03951 6/20 0.35
▸ F7 P08709 6/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ ALK Q9UM73 1/20 0.34
▸ PLOD2 O00469 1/20 0.33
▸ PLOD3 O60568 1/20 0.33
▸ PLOD1 Q02809 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 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
SCHEMBL11026011 0.92 F11 (0.38) KIF11F10F11F7MEN1
SCHEMBL11026606 0.88 MKNK1 (0.35) CYP2C19CYP3A4KIF11CYP2C9ALK
SCHEMBL11029211 0.88 PRKAG1 (0.34) CYP2C19KIF11ALKPRKDCMEN1
SCHEMBL11028239 0.84 MAPT (0.36) KIF11ALKPRKDCIDH1MEN1
SCHEMBL11025342 0.84 LGMN (0.34) CYP3A4KIF11CYP2C9ALKPRKDC
SCHEMBL11027130 0.83 CYP2C19 (0.41) CYP2C19CYP3A4KMOKIF11CYP2C9
SCHEMBL11026989 0.83 CYP2C19 (0.39) CYP2C19CYP3A4KMOKIF11CYP2C9
SCHEMBL11024203 0.81 F11 (0.47) F10F11F7
SCHEMBL11025194 0.80 HTR1A (0.42) F10F11F7ALKMEN1
SCHEMBL11025411 0.80 CYP2C19 (0.39) CYP2C19CYP3A4KMOCYP2C9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A CYP2C19 1776/4885CYP3A4 715/4885KMO 3477/4885

“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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