SCHEMBL1753748

SCHEMBL1753748

CCCc1cn(CC)nn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.61
L3MBTL1 Q9Y468 1/20 0.44
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
GGPS1 O95749 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GBA1 P04062 4/20 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
SCHEMBL5021080 0.88 L3MBTL1 (0.56) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL14982736 0.87 CYP19A1 (0.50) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL15042747 0.87 CYP19A1 (0.61) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL3549774 0.86 CYP19A1 (0.62) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL5021089 0.85 CYP19A1 (0.59) CYP19A1HRH4HRH3GBA1
SCHEMBL3546675 0.84 CYP19A1 (0.65) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL22701235 0.84 CYP19A1 (0.65) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL22794232 0.84 CYP19A1 (0.65) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL25837226 0.84 CYP19A1 (0.65) CYP19A1L3MBTL1HRH4HRH3GGPS1
SCHEMBL25836828 0.84 CYP19A1 (0.65) CYP19A1L3MBTL1HRH4HRH3GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833229-B2 Labeling precursors with squaric acid coupling SCV SPEZIAL-CHEMIKALIEN-VERTRIEBS GMBH (DE) 2023-12-05 US disclosed
EP-3555082-B1 ETHER LINKED TRIAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-26 EP disclosed
WO-2021262587-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED (US) 2021-12-30 WO disclosed
US-10870642-B2 Biheterocyclic compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-12-22 US disclosed
WO-2019192532-A1 BLADDER CANCER PHOTODYNAMIC THERAPEUTIC AGENTS WITH OFF-ON MAGNETIC RESONANCE IMAGING ENHANCEMENT HONG KONG BAPTIST UNIVERSITY (CN) 2019-10-10 WO disclosed
US-20190308958-A1 BIHETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-10-10 US disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
EP-3301108-A1 TRIAZOLE MACROCYCLE SYSTEMS Aileron Therapeutics, Inc. (US) 2018-04-04 EP disclosed
EP-2342222-B1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2018-03-21 EP disclosed
US-20160282357-A1 METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS Nubad, LLC 2016-09-29 US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-8158590-B2 Triazole-containing releasable linkers, conjugates thereof, and methods of preparation SYNTARGA B.V. (NL) 2012-04-17 US disclosed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation BYONDIS B.V. (NL) 2008-12-18 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 (10 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 CYP19A1 1883/4885L3MBTL1 1895/4885HRH4 3631/4885
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 CYP19A1 25/4885L3MBTL1 4228/4885HRH4 2718/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP CYP19A1 2296/4885L3MBTL1 3531/4885HRH4 320/4885
US-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation PAICS, CD44, TRIM33 CYP19A1 2443/4885L3MBTL1 1945/4885HRH4 1571/4885
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP CYP19A1 2296/4885L3MBTL1 3531/4885HRH4 320/4885
US-20190308958-A1 BIHETEROCYCLIC COMPOUND NR4A3, NGF, OGFR CYP19A1 450/4885L3MBTL1 404/4885HRH4 198/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP CYP19A1 2296/4885L3MBTL1 3531/4885HRH4 320/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP CYP19A1 2296/4885L3MBTL1 3531/4885HRH4 320/4885
US-10870642-B2 Biheterocyclic compound NR4A3, NGF, OGFR CYP19A1 450/4885L3MBTL1 404/4885HRH4 198/4885
US-11833229-B2 Labeling precursors with squaric acid coupling SCLY, SRRT, CS CYP19A1 1570/4885L3MBTL1 1353/4885HRH4 4605/4885

“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.