SCHEMBL867252

SCHEMBL867252

O=C1NC(=O)N2Cc3[nH]c4ccccc4c3CC12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.62
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
ACE P12821 1/20 0.46
CYP19A1 P11511 1/20 0.45

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
SCHEMBL18813884 0.88 TRPM8 (0.58) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL14223540 0.84 KMT2A (0.60) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL866593 0.84 KMT2A (0.60) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL6416999 0.77 KMT2A (0.56) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL17520545 0.77 KMT2A (0.61) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL19138994 0.77 KMT2A (0.61) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL17520458 0.76 KMT2A (0.67) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL19248407 0.76 KMT2A (0.67) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL34472268 0.76 KMT2A (0.67) TRPM8KMT2AMEN1KDM4EALDH1A1
SCHEMBL18676293 0.76 KMT2A (0.67) TRPM8KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422242-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-23 US disclosed
US-9169247-B2 Tetrahydro-beta-carboline derivatives, synthesis and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2015-10-27 US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 US disclosed
US-8697875-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-04-15 US disclosed
US-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2012-12-06 US disclosed
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
US-20110086923-A1 Method to increase oxygen in male and female sexual organs through the topical use of perfluorocarbons TENAX THERAPEUTICS, INC 2011-04-14 US disclosed
US-20060134767-A1 Mitotic kinesin binding site MERCK & CO., INC. 2006-06-22 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-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF PDE5A, PDE3A, PDE3B TRPM8 4726/4885KMT2A 1883/4885MEN1 623/4885
US-20110086923-A1 Method to increase oxygen in male and female sexual organs through the topical use of perfluorocarbons SHBG, ACOX3, PAOX TRPM8 2762/4885KMT2A 4265/4885MEN1 4580/4885
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A TRPM8 3098/4885KMT2A 3277/4885MEN1 1930/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A TRPM8 3098/4885KMT2A 3277/4885MEN1 1930/4885

“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.