SCHEMBL7121214

SCHEMBL7121214

CN(C)CCNc1c[c]ccn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.56
HRH3 Q9Y5N1 1/20 0.47
DNM2 P50570 10/20 0.42
HRH4 Q9H3N8 1/20 0.41
MAP4K4 O95819 1/20 0.39
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
TDO2 P48775 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL15688595 0.80 HCAR3 (0.37) CYP2C19HRH4
SCHEMBL7119883 0.79 HRH3 (0.36) CYP2C19HRH3HRH4
SCHEMBL574419 0.77 TLR8 (0.46) DNM2HRH4MAP4K4
SCHEMBL6641016 0.77 KDM4E (0.39) CYP2C19MAP4K4GAATDO2
SCHEMBL5897125 0.77 HRH3 (0.35) HRH3HRH4
SCHEMBL5485787 0.76 DNM2 (0.42) DNM2HRH4
SCHEMBL1751921 0.76
SCHEMBL27699250 0.75 DNM2 (0.44) DNM2HRH4
SCHEMBL7662000 0.74 HRH3 (0.47) HRH3HRH4
SCHEMBL7653336 0.74 KDM4D (0.46)

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-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 CYP2C19 1782/4885HRH3 4030/4885DNM2 3617/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 CYP2C19 1782/4885HRH3 4030/4885DNM2 3617/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 CYP2C19 1782/4885HRH3 4030/4885DNM2 3617/4885

“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.