SCHEMBL1869747

SCHEMBL1869747

Brc1cnn(CCN2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TERT O14746 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 6/20 0.37
PIM1 P11309 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL30786269 0.88 HRH3 (0.41) ALDH1A1ATML3MBTL1TSHRMAPK1
SCHEMBL13166802 0.84 KMT2A (0.41) ALDH1A1TSHRMAPK1KMT2AHSD17B10
SCHEMBL1703940 0.79 SIGMAR1 (0.43) ALDH1A1L3MBTL1TERTSIGMAR1CYP1A2
SCHEMBL2581848 0.79 TERT (0.38) L3MBTL1TERTSIGMAR1CYP1A2CYP3A4
SCHEMBL17793165 0.79 HRH3 (0.41) TERTSIGMAR1JAK2JAK1TYK2
SCHEMBL27691226 0.78 LMNA (0.44) ALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL27955535 0.77 SIGMAR1 (0.41) ALDH1A1L3MBTL1TERTKMT2ASIGMAR1
SCHEMBL1703040 0.76 SIGMAR1 (0.41) ALDH1A1L3MBTL1TERTKMT2ASIGMAR1
SCHEMBL986124 0.76 CHRNB2 (0.36) L3MBTL1TERTSIGMAR1CYP1A2CYP3A4
SCHEMBL11946810 0.76 HRH3 (0.42) KMT2ASIGMAR1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
EP-2496557-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2013-12-18 EP disclosed
EP-2496557-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 ALDH1A1 852/4885ATM 2425/4885L3MBTL1 4865/4885

“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.