SCHEMBL866593

SCHEMBL866593

O=C1NCC(=O)N2Cc3[nH]c4ccccc4c3CC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL14223540 1.00 KMT2A (0.60) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL867252 0.84 TRPM8 (0.62) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL22146777 0.83 KMT2A (0.46) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL18676293 0.82 KMT2A (0.67) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL34472268 0.82 KMT2A (0.67) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL19248407 0.82 KMT2A (0.67) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL17520458 0.82 KMT2A (0.67) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL11884302 0.81 KMT2A (0.63) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL18813884 0.81 TRPM8 (0.58) KMT2ATRPM8MEN1KDM4EALDH1A1
SCHEMBL19138937 0.79 KMT2A (0.73) KMT2ATRPM8MEN1KDM4EALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974782-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-05-22 US disclosed
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 US disclosed
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-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 US disclosed
EP-2324886-A1 Novel deuterated analogues of tadalafil Concert Pharmaceuticals Inc. (US) 2011-05-25 EP disclosed
EP-1289989-A2 DERIVATIVES OF 2,3,6,7,12,12A-HEXAHYDROPYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE Lilly Icos LLC (US) 2003-03-12 EP disclosed
WO-2001094345-A3 DERIVATIVES OF 2,3,6,7,12,12A-HEXAHYDROPYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE LILLY ICOS LLC (US) 2002-07-18 WO disclosed
WO-2001094345-A2 DERIVATIVES OF 2,3,6,7,12,12A-HEXAHYDROPYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE LILLY ICOS LLC (US) 2001-12-13 WO disclosed
US-3917599-A 2-Substituted-1,2,3,4,6,7,12,12A-octahydropyrazino(2{40 ,1{40 :6,1)pyrido(3,4-B)indoles COUNCIL SCIENT IND RES 1975-11-04 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-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885TRPM8 3098/4885MEN1 1930/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885TRPM8 3098/4885MEN1 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.