SCHEMBL16645175

SCHEMBL16645175

O=C(CC1CCOCC1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
NAMPT P43490 4/20 0.41
SMYD3 Q9H7B4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 1/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37

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
SCHEMBL10257290 0.94 DDB1 (0.43) DDB1CRBNCHRNB2CHRNA3CHRNA4
SCHEMBL16207650 0.87 DDB1 (0.53) DDB1CRBNCHRNB2CHRNA3CHRNA4
SCHEMBL4371773 0.86 L3MBTL1 (0.46) DDB1CRBNNAMPTSMYD3L3MBTL1
SCHEMBL11496439 0.85 DDB1 (0.51) DDB1CRBNCHRNB2CHRNA3CHRNA4
SCHEMBL3696171 0.84 DDB1 (0.50) DDB1CRBNCHRNB2CHRNA3CHRNA4
SCHEMBL12522667 0.84 NAMPT (0.45) NAMPTL3MBTL1ALOX15TSHRHSD17B10
SCHEMBL13429753 0.82 DDB1 (0.49) DDB1CRBNCHRNB2CHRNA3CHRNA4
SCHEMBL18082852 0.82 NAMPT (0.44) NAMPTL3MBTL1ALOX15TSHRHSD17B10
SCHEMBL13097128 0.81 NAMPT (0.43) NAMPTSMYD3L3MBTL1ALOX15TSHR
SCHEMBL19495597 0.80 L3MBTL1 (0.53) NAMPTL3MBTL1ALOX15TSHRHSD17B10

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-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 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-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT DDB1 2172/4885CRBN 4694/4885CHRNB2 4197/4885

“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.