SCHEMBL13359255

SCHEMBL13359255

CCn1cc(CCO)nn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP19A1 P11511 8/20 0.45
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ GGPS1 O95749 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ GBA1 P04062 3/20 0.38

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
SCHEMBL22247627 0.87 CYP19A1 (0.48) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL22062687 0.85 HRH4 (0.47) POLBKMT2ACYP19A1HRH4HRH3
SCHEMBL14982736 0.83 CYP19A1 (0.50) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL1753748 0.83 CYP19A1 (0.61) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL1345747 0.83 — —
SCHEMBL16029999 0.82 POLB (0.48) POLBKMT2ACYP19A1HRH4HRH3
SCHEMBL19361293 0.80 CYP19A1 (0.45) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL5021080 0.80 L3MBTL1 (0.56) CYP19A1HRH4HRH3GGPS1L3MBTL1
SCHEMBL24713570 0.79 POLB (0.43) POLBKMT2ACYP19A1HRH4HRH3
SCHEMBL20615467 0.79 POLB (0.41) POLBKMT2ACYP19A1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066425-B1 Oxo-substituted compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-20 — — US disclosed
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 — — US disclosed
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 — — EP disclosed
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 — — EP disclosed
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 — — WO disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 — — US disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 — — US disclosed
EP-1874739-B1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2010-05-26 — — EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 — — US disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 — — 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 (5 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 POLB 4451/4885KMT2A 2594/4885CYP19A1 2242/4885
US-11066425-B1 Oxo-substituted compound CYP51A1, OXA1L, O60361 POLB 870/4885KMT2A 2610/4885CYP19A1 434/4885
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 POLB 3942/4885KMT2A 3430/4885CYP19A1 2566/4885
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD POLB 1490/4885KMT2A 1346/4885CYP19A1 1141/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 POLB 3942/4885KMT2A 3430/4885CYP19A1 2566/4885

“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.

Send feedback