SCHEMBL8989907

SCHEMBL8989907

COC(=O)Nc1cc2c3c(c1)[C@](C)(c1ccc(F)cc1)CCN3CC[C@@]2(C)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN2B Q13224 2/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR2 O95136 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OPRM1 P35372 2/20 0.35
CACNA1H O95180 1/20 0.35
OPRD1 P41143 1/20 0.35
BCHE P06276 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
SCHEMBL8988339 1.00 LMNA (0.39) LMNAMEN1ALOX15HTTKMT2A
SCHEMBL2388490 0.96 LMNA (0.42) LMNAMEN1ALOX15HTTKMT2A
SCHEMBL13625620 0.96 LMNA (0.42) LMNAMEN1ALOX15HTTKMT2A
SCHEMBL8988081 0.87 GRIN2B (0.39) LMNAMEN1KMT2ASMN1; SMN2GRIN2B
SCHEMBL11973796 0.87 TP53 (0.38) HTTSMN1; SMN2TP53TSHRMAPT
SCHEMBL8988051 0.86 RAB9A (0.43) LMNAKMT2ASMN1; SMN2TP53TSHR
SCHEMBL14210204 0.86 SMN1; SMN2 (0.38) LMNASMN1; SMN2GRIN2BTP53TSHR
SCHEMBL11973314 0.84 S1PR2 (0.37) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL2389637 0.84 FSHR (0.44) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL2392497 0.84 FSHR (0.44) MEN1KMT2ASMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 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 (3 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-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 LMNA 2604/4885MEN1 2028/4885ALOX15 788/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 LMNA 2604/4885MEN1 2028/4885ALOX15 788/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 LMNA 2604/4885MEN1 2028/4885ALOX15 788/4885

“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.