SCHEMBL16018353

SCHEMBL16018353

Cc1ccc(C)n1C[C@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 3/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.36
CDK4 P11802 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CCND1 P24385 1/20 0.35
MMP9 P14780 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL21550306 1.00 KDM4E (0.39) KDM4EALDH1A1ADORA2AADORA2BADORA1
SCHEMBL15498265 1.00 KDM4E (0.39) KDM4EALDH1A1ADORA2AADORA2BADORA1
SCHEMBL16018360 0.83 THRB (0.37) KDM4EALDH1A1BACE1MAPTCYP1A2
SCHEMBL14830413 0.80 CHRM1 (0.45) KDM4EALDH1A1BACE1MAPTCYP1A2
SCHEMBL16018346 0.78 THRB (0.37) KDM4EALDH1A1MAPTCYP1A2LMNA
SCHEMBL6528131 0.76 KDM4E (0.44) KDM4EALDH1A1ADORA2AADORA2BADORA1
SCHEMBL17484540 0.71 HSD17B10 (0.49) KDM4EBACE1MAPTCYP1A2LMNA
SCHEMBL22516955 0.70 MAPK1 (0.46) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL8671763 0.69 MAPT (0.41) KDM4EALDH1A1ADORA2AADORA2BADORA1
SCHEMBL14578715 0.68 BACE1 (0.81) KDM4EALDH1A1BACE1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 US disclosed
US-9416106-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2016-08-16 US disclosed
US-9416106-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2016-08-16 US disclosed
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2015-12-24 US disclosed
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2015-12-24 US disclosed
US-9120750-B2 2-Aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2015-09-01 US disclosed
US-9120750-B2 2-Aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2015-09-01 US disclosed
WO-2014138460-A1 2-AMINOPYRIDINE-BASED SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2014-09-12 WO disclosed
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-09-11 US disclosed
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-09-11 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 (4 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-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 KDM4E 1514/4885ALDH1A1 749/4885ADORA2A 859/4885
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 KDM4E 1514/4885ALDH1A1 749/4885ADORA2A 859/4885
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 KDM4E 1514/4885ALDH1A1 749/4885ADORA2A 859/4885
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 KDM4E 1514/4885ALDH1A1 749/4885ADORA2A 859/4885

“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.