SCHEMBL17429439

SCHEMBL17429439

CCOC(=O)c1cc2c(Br)c(C)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ NPC1 O15118 5/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ MMP13 P45452 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ MMP2 P08253 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ GLA P06280 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ ALOX15 P16050 2/20 0.50

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
SCHEMBL4374748 0.87 KDM4E (0.55) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22620608 0.86 KDM4E (0.53) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6739125 0.85 KDM4E (0.58) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2015560 0.85 KDM4E (0.55) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL19332451 0.83 ALOX15 (0.57) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5780732 0.83 KDM4E (0.56) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6595745 0.83 KDM4E (0.50) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL14653965 0.82 KDM4E (0.55) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11744575 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2204502 0.80 KDM4E (0.55) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 — — US disclosed
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 — — US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 — — US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 — — US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 — — US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 — — US disclosed
WO-2016007630-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7 -NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN, LLC (US) 2016-01-14 — — 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-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 KDM4E 3461/4885RAB9A 361/4885ALDH1A1 1525/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 KDM4E 3528/4885RAB9A 433/4885ALDH1A1 1497/4885

“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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