SCHEMBL2133441

SCHEMBL2133441

CN1c2ccc(C#N)cc2C(C)(C)CC1c1cccc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DRD3 P35462 5/20 0.34
▸ DRD2 P14416 4/20 0.34
▸ KDM1A O60341 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RCOR1 Q9UKL0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ NFKB1 P19838 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
SCHEMBL2139566 0.80 KDM1A (0.34) DRD3DRD2KDM1ARCOR1TSHR
Bicarbonate SCHEMBL16239553 0.78 BRD4 (0.35) DRD2
SCHEMBL2134532 0.77 GRM5 (0.34) ALDH1A1
SCHEMBL2134615 0.77 GRIN2B (0.38) MAPK1SMN1; SMN2ALDH1A1TSHRCYP2D6
SCHEMBL2141149 0.76 F10 (0.42) MAPK1L3MBTL1DRD3DRD2KDM1A
SCHEMBL2135138 0.67 L3MBTL1 (0.38) MAPK1L3MBTL1KDM1AMAPTSMN1; SMN2
SCHEMBL2134900 0.67 MAPK1 (0.38) MAPK1L3MBTL1KDM1AMAPTSMN1; SMN2
SCHEMBL17771681 0.66 CASP3 (0.41) DRD3DRD2KDM1AMAPTSMN1; SMN2
SCHEMBL22938489 0.66 RARA (0.46) KDM1ANSD2ALK
SCHEMBL12719579 0.64 DRD3 (0.44) DRD3DRD2TSHRCYP2D6NFKB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 — — EP disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 — — US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 — — WO 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 MAPK1 148/4885L3MBTL1 2342/4885DRD3 4125/4885

“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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