SCHEMBL11908333

SCHEMBL11908333

O=C(O)NC1CCN(CCn2cc(Br)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SIGMAR1 Q99720 5/20 0.40
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL27691226 0.77 LMNA (0.44) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL1869747 0.73 ALDH1A1 (0.39) KMT2ASIGMAR1L3MBTL1ALDH1A1
SCHEMBL22233246 0.72 SIGMAR1 (0.61) KMT2AMEN1SIGMAR1L3MBTL1
SCHEMBL13166802 0.71 KMT2A (0.41) KMT2AALDH1A1LMNAKDM4E
SCHEMBL20539449 0.70 PKM (0.46) KMT2AL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL15133838 0.69 KDM4E (0.42) KMT2AMEN1ALDH1A1KDM4EPKM
SCHEMBL1921058 0.69 KMT2A (0.47) KMT2AMEN1SIGMAR1CARM1PRMT6
SCHEMBL18991737 0.68 ALDH1A1 (0.43) KMT2AL3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL921625 0.68 CHRM1 (0.44) KMT2AMEN1ADRA1AADRA1BCNR1
SCHEMBL19924787 0.68 SIGMAR1 (0.44) SIGMAR1CARM1PRMT6L3MBTL1ADRA1D

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 3 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
EP-2496557-B1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2013-12-18 — — EP disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 — — 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-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 KMT2A 1698/4885MEN1 1250/4885SIGMAR1 987/4885

“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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