SCHEMBL1918845

SCHEMBL1918845

CN1CCN(C(=O)N[C@@H]2CCN(C)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.46
EPHX2 P34913 2/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 1/20 0.44
P2RX4 Q99571 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL14417946 0.91 KDM4E (0.72) KDM4EALDH1A1HTTEPHX2LMNA
SCHEMBL8959410 0.86 KDM4E (0.46) KDM4EALDH1A1HTTLMNAPOLB
SCHEMBL18389971 0.85 KDM4E (0.74) KDM4EALDH1A1HTTEPHX2LMNA
SCHEMBL14257122 0.85 KDM4E (0.45) KDM4EALDH1A1HTTLMNAPOLB
SCHEMBL24371200 0.85 KDM4E (0.56) KDM4EALDH1A1HTTEPHX2LMNA
SCHEMBL13853824 0.83 KDM4E (0.55) KDM4EALDH1A1HTTEPHX2LMNA
SCHEMBL18389913 0.81 HTT (0.69) KDM4EALDH1A1HTTLMNAPOLB
SCHEMBL8959413 0.81 KDM4E (0.42) KDM4EALDH1A1HTTPOLBP2RX4
SCHEMBL26826602 0.81 KDM4E (0.52) KDM4EALDH1A1EPHX2HRH3
SCHEMBL26814552 0.81 KDM4E (0.52) KDM4EALDH1A1HTTEPHX2LMNA

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
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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 (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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 KDM4E 4719/4885ALDH1A1 918/4885HTT 4172/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 KDM4E 3873/4885ALDH1A1 166/4885HTT 2470/4885

“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.