SCHEMBL11026336

SCHEMBL11026336

CC1(C(N)=O)CC(c2cccc(N3CCN(c4ccccc4)CC3)c2)Nc2c([C]=O)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ USP2 O75604 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ F10 P00742 2/20 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
SCHEMBL11027130 0.93 CYP2C19 (0.41) CYP2C19MEN1KMT2AALDH1A1MAPT
SCHEMBL11029140 0.83 FAAH (0.33) MEN1KMT2AALDH1A1
SCHEMBL11030189 0.83 HTR1A (0.34) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11025411 0.83 CYP2C19 (0.39) CYP2C19MEN1KMT2AALDH1A1MAPT
SCHEMBL11021411 0.82 MEN1 (0.37) CYP2C19MEN1KMT2AUSP2ALDH1A1
SCHEMBL11026338 0.77 MEN1 (0.38) CYP2C19HDAC4MEN1KMT2AUSP2
SCHEMBL11026011 0.76 F11 (0.38) MEN1KMT2AALDH1A1F10F11
SCHEMBL11025707 0.76 CYP2C19 (0.40) CYP2C19MEN1KMT2AALDH1A1MAPT
SCHEMBL11026104 0.75 ALDH1A1 (0.40) CYP2C19HDAC4MEN1KMT2AUSP2
SCHEMBL11026764 0.74 NPC1 (0.34) MEN1KMT2AUSP2MAPTLMNA

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 6 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
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 1776/4885HDAC4 1981/4885MEN1 487/4885

“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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