SCHEMBL2139566

SCHEMBL2139566

CN1c2ccc(C(F)(F)F)cc2C(C)(C)CC1c1cccc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.34
▸ RCOR1 Q9UKL0 2/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ HSPA9 P38646 2/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ DRD1 P21728 1/20 0.31

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
SCHEMBL2133441 0.80 MAPK1 (0.34) KDM1ARCOR1DRD2DRD3TSHR
Bicarbonate SCHEMBL16239730 0.78 CCR5 (0.36) HSPA9
SCHEMBL2133810 0.78 HSPA9 (0.36) HSPA9
SCHEMBL2135559 0.77 GRIN2B (0.38) HSPA9
SCHEMBL2141194 0.76 KMT2A (0.36) KDM1ARCOR1SLC6A4HTR1ANPSR1
SCHEMBL29769949 0.65 MEN1 (0.50) SLC6A2SLC6A4TMEM97SIGMAR1HTR2B
SCHEMBL12719443 0.64 DRD2 (0.46) DRD2HTR1ACETP
Iodide SCHEMBL28268295 0.64 MEN1 (0.49) SLC6A2SLC6A4TMEM97SIGMAR1HTR2B
SCHEMBL2139861 0.62 MAPK1 (0.40) KDM1ARCOR1HSPA9TSHR
SCHEMBL13231453 0.61 AR (0.47) SIGMAR1HSPA9

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 KDM1A 1439/4885RCOR1 329/4885DRD2 3709/4885

“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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