SCHEMBL1581610

SCHEMBL1581610

CC(C)(C)OC(=O)N1CCN(CCn2cc(Br)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.41
▸ SCD O00767 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ RET P07949 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ESRRB O95718 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ ESRRG P62508 1/20 0.40
▸ ACKR3 P25106 2/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40

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
SCHEMBL23603051 0.87 GPR119 (0.50) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL1662393 0.85 TLR8 (0.43) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL29079551 0.83 GPR119 (0.46) GPR119
SCHEMBL31173862 0.82 FAAH (0.50) GPR119
SCHEMBL31173859 0.82 FAAH (0.50) GPR119
SCHEMBL30990360 0.81 ALDH1A1 (0.52) CHRM2CHRM4CHRM1CHRM3HTT
SCHEMBL1872697 0.81 HRH2 (0.43) GPR119RETUSP2SMN1; SMN2
SCHEMBL27691226 0.80 LMNA (0.44) USP2SMN1; SMN2HTT
SCHEMBL23603269 0.80 HRH2 (0.49) GPR119RETESRRBESR1ESRRA
SCHEMBL1581892 0.80 FPR2 (0.48) GPR119

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 13 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
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
EP-1784396-B8 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2011-04-20 — — EP disclosed
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 — — EP disclosed
EP-1784396-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-16 — — EP disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 — — US disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 — — 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 (2 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-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 CHRM2 4861/4885CHRM4 4857/4885CHRM1 4826/4885
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 CHRM2 1158/4885CHRM4 1773/4885CHRM1 1259/4885

“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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