SCHEMBL11030190

SCHEMBL11030190

CC1(C)CC(c2cccc(N3CCCC3)c2)Nc2c(C(N)=O)cc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ F10 P00742 4/20 0.34
▸ F11 P03951 4/20 0.34
▸ F7 P08709 4/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 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
SCHEMBL11025415 0.92 CYP2C19 (0.41) HTR1AHTR2AHTR7HTR6PARP1
SCHEMBL11021499 0.91 ALDH1A1 (0.39) F10F11F7NR1H4TMEM97
SCHEMBL11029142 0.89 PARP1 (0.35) HTR1AHTR7PARP1F10F11
SCHEMBL11025220 0.86 ADRB1 (0.34) F10F11F7NR1H4TMEM97
SCHEMBL11025566 0.84 MEN1 (0.37) NR1H4MEN1ALDH1A1KMT2AKDM4E
SCHEMBL11025280 0.84 PRKAG1 (0.37) PARP1F10F11F7MEN1
SCHEMBL11940915 0.84 AURKA (0.36) TMEM97SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL11026364 0.83 CYP2C19 (0.43) MEN1ALDH1A1KMT2AGAAKIF11
SCHEMBL11031120 0.82 F11 (0.34) PARP1F10F11F7ALDH1A1
SCHEMBL11026338 0.82 MEN1 (0.38) HTR1AF10F11F7MEN1

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
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 HTR1A 316/4885HTR2A 1107/4885HTR7 826/4885

“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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