SCHEMBL2139850

SCHEMBL2139850

Cc1ccc2c(c1)C(C)(C)CC(c1ccccc1N)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTR5A P47898 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ ROS1 P08922 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30

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
SCHEMBL2137370 0.86 PRKAB2 (0.38) F7MAPTTP53ALOX15SMN1; SMN2
SCHEMBL4961191 0.85 HTR2A (0.36) NPC1ALDH1A1MAPTRAB9AHTR5A
SCHEMBL2135149 0.83 CTSD (0.35) ALDH1A1MAPTRAB9ASMN1; SMN2KIF11
SCHEMBL2135630 0.83 F7 (0.37) F7ALDH1A1
SCHEMBL2138126 0.82 PRKAB2 (0.47) F7
SCHEMBL2138313 0.79 KMT2A (0.39) NPC1ALDH1A1MAPTRAB9ACYP3A4
SCHEMBL2137710 0.79 AR (0.42) ALDH1A1MAPTRAB9ACYP3A4TP53
SCHEMBL2137574 0.78 F7 (0.38) F7NPC1ALDH1A1MAPTRAB9A
SCHEMBL2135562 0.77 KDM4E (0.34) F7ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL2135133 0.75 METAP2 (0.42) ALDH1A1MAPTSMN1; SMN2POLBCYP2C19

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 F7 4761/4885NPC1 208/4885ALDH1A1 624/4885

“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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