SCHEMBL11021499

SCHEMBL11021499

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ IP6K1 Q92551 1/20 0.37
▸ SERPINE1 P05121 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F10 P00742 6/20 0.35
▸ F11 P03951 6/20 0.35
▸ F7 P08709 6/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL11026364 0.92 CYP2C19 (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL11030190 0.91 HTR1A (0.36) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11025301 0.89 KDM4E (0.39) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11025220 0.87 ADRB1 (0.34) ALDH1A1KMT2AGAALMNAMAPT
SCHEMBL11940915 0.84 AURKA (0.36) ALDH1A1MEN1KMT2ATMEM97SIGMAR1
SCHEMBL11027034 0.84 PRKAG1 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL11025415 0.83 CYP2C19 (0.41) ALDH1A1MEN1KMT2AMAPTKIF11
SCHEMBL11026104 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11027705 0.81 F11 (0.35) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11029258 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA

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 ALDH1A1 785/4885MEN1 487/4885KMT2A 513/4885

“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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