SCHEMBL13344223

SCHEMBL13344223

C1CNC(C2CCNCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 3/20 0.46
L3MBTL3 Q96JM7 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
EPAS1 Q99814 1/20 0.31
NOS2 P35228 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL1462408 0.92 MBTD1 (0.41) MBTD1L3MBTL3L3MBTL1EPAS1
SCHEMBL16281659 0.92 MBTD1 (0.41) MBTD1L3MBTL3L3MBTL1EPAS1
Hydrochloric Acid SCHEMBL4068811 0.88 MBTD1 (0.39) MBTD1L3MBTL3L3MBTL1EPAS1
SCHEMBL1317662 0.86
SCHEMBL9142378 0.85 MBTD1 (0.40) MBTD1L3MBTL3L3MBTL1NOS2NOS3
SCHEMBL2273760 0.85 MBTD1 (0.40) MBTD1L3MBTL3L3MBTL1NOS2NOS3
SCHEMBL90804 0.83 MBTD1 (0.44) MBTD1L3MBTL3L3MBTL1EPAS1NOS2
Hydrochloric Acid SCHEMBL5242922 0.83
SCHEMBL4069679 0.83 MBTD1 (0.32) MBTD1L3MBTL3
SCHEMBL22915706 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424929-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd (CN) 2019-01-09 EP claimed
CN-105413397-A Compound absorbent for removing CO2 from tail gas SINOPEC ENERGY ENV PROT ENG SCIENCE & TECH CO LTD 2016-03-23 CN claimed
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
CN-109996790-A Piperazine carbamate and its preparation and application 阿比德治疗公司 2019-07-09 CN disclosed
CN-105413397-A Compound absorbent for removing CO2 from tail gas SINOPEC ENERGY ENV PROT ENG SCIENCE & TECH CO LTD 2016-03-23 CN disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
CN-101553481-A Substituted sulfonamide derivatives GRUENENTHAL GMBH (DE) 2009-10-07 CN 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 MBTD1 655/4885L3MBTL3 4206/4885L3MBTL1 3372/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L MBTD1 1179/4885L3MBTL3 1935/4885L3MBTL1 1092/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 MBTD1 655/4885L3MBTL3 4206/4885L3MBTL1 3372/4885

“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.