SCHEMBL11025741

SCHEMBL11025741

Cc1ccc(N2CCN(c3cncc(C4CC(C)(C)c5cc(C(=O)O)ccc5N4)c3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ XPO1 O14980 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ DRD2 P14416 4/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ TP53 P04637 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
SCHEMBL11027123 0.93 MAPT (0.36) POLBHTTMAPTALDH1A1HSD17B10
SCHEMBL11027058 0.90 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL11024311 0.88 MMP2 (0.38) POLBHTTMAPTLMNAMMP2
SCHEMBL11022770 0.88 POLB (0.41) POLBHTTMAPTALDH1A1CYP1A2
SCHEMBL11940902 0.86 SCN9A (0.40) MAPTMMP2MMP13TP53
SCHEMBL11025475 0.84 KMO (0.40) POLBMAPTALDH1A1F10F11
SCHEMBL11027119 0.79 MAPT (0.33) POLBHTTMAPTALDH1A1HPGD
SCHEMBL11029232 0.78 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL11023804 0.77 MMP2 (0.39) POLBHTTMAPTSMN1; SMN2LMNA
SCHEMBL11026607 0.77 MKNK1 (0.39) MAPTALDH1A1F10F11F7

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 POLB 3765/4885HTT 1587/4885MAPT 3428/4885

“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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