SCHEMBL11027130

SCHEMBL11027130

CC1(C(N)=O)CC(c2cccc(N3CCOCC3)c2)Nc2c([C]=O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ KMO O15229 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ SETD2 Q9BYW2 2/20 0.34
▸ PLOD2 O00469 2/20 0.34
▸ PLOD3 O60568 2/20 0.34
▸ PLOD1 Q02809 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ AOC3 Q16853 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ FAAH O00519 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ AKR1C3 P42330 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
SCHEMBL11026336 0.93 CYP2C19 (0.34) CYP2C19CYP3A4CYP2C9MEN1MAPT
SCHEMBL11025411 0.90 CYP2C19 (0.39) CYP2C19CYP3A4KMOCYP2C9BRD4
SCHEMBL11025707 0.83 CYP2C19 (0.40) CYP2C19CYP3A4KMOCYP2C9BRD4
SCHEMBL11029140 0.81 FAAH (0.33) MEN1KMT2AALDH1A1FAAH
SCHEMBL11030189 0.81 HTR1A (0.34) MEN1MAPTKMT2AALDH1A1
SCHEMBL11026989 0.78 CYP2C19 (0.39) CYP2C19CYP3A4KMOCYP2C9BRD4
SCHEMBL11027131 0.78 CYP2C19 (0.43) CYP2C19CYP3A4KMOCYP2C9BRD4
SCHEMBL11021411 0.77 MEN1 (0.37) CYP2C19CYP2C9MEN1MAPTKMT2A
SCHEMBL11025372 0.77 CYP2C19 (0.40) CYP2C19CYP3A4KMOCYP2C9BRD4
SCHEMBL11025279 0.76 PRKAG1 (0.36) MEN1MAPTKMT2AALDH1A1

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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