SCHEMBL9987541

SCHEMBL9987541

O=C(O)c1cc(Cc2ccc(Cl)nc2)c2c(n1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.42
▸ IGFBP5 P24593 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ IGFBP3 P17936 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM1 P11229 6/20 0.37
▸ NAPRT Q6XQN6 1/20 0.36
▸ LMNA P02545 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
SCHEMBL12072484 0.85 ACHE (0.44) PDE4BPOLBL3MBTL1KDM4EKMT2A
SCHEMBL12073429 0.82 PARP1 (0.44) POLBALDH1A1TSHRKDM4EKMT2A
SCHEMBL12072483 0.80 CHRM1 (0.47) ALDH1A1KMT2ACHRM1
SCHEMBL14840071 0.80 CHRM1 (0.58) CHRM1
SCHEMBL14840331 0.76 CHRM1 (0.59) CHRM1
SCHEMBL12073651 0.76 NPC1 (0.35) PDE4BPOLBTDP1CHRM1
SCHEMBL18756583 0.68 ALDH1A1 (0.46) POLBL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL16759802 0.66 TSHR (0.44) POLBL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL12072208 0.66 RXFP1 (0.48) NPSR1POLBL3MBTL1ALDH1A1TSHR
SCHEMBL18756376 0.65 CHRM1 (0.47) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582676-B1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
EP-2582676-B1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
EP-2582676-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-04-24 — — EP disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 — — US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 — — US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 — — US disclosed
WO-2011159554-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 — — WO disclosed
WO-2011159554-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 — — 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-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 PDE4B 582/4885IGFBP5 4158/4885NPSR1 116/4885

“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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