SCHEMBL3015437

SCHEMBL3015437

CN(C)CCN(C)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
Hydrochloric Acid SCHEMBL17843903 0.98 NOS3 (0.36) NOS3NOS1NOS2CA12CA2
Hydrochloric Acid SCHEMBL5572628 0.91 NOS3 (0.38) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL26197502 0.87 SLC6A4 (0.43) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL1307225 0.87 NOS3 (0.35) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL1307919 0.87 ALDH1A1 (0.40) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL12120285 0.87 SLC6A4 (0.43) NOS3NOS1NOS2SLC6A2SLC6A4
Bromide SCHEMBL1307607 0.85 SLC6A4 (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL15247864 0.83 KDM4E (0.40) CA12CA2CA3CA4CA6
SCHEMBL1829058 0.82 SLC6A4 (0.40) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL8851494 0.81 KDM4E (0.50) NOS3NOS1NOS2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 EP disclosed
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 WO disclosed
EP-3233866-B1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2021-04-21 EP disclosed
EP-3233866-B1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS Bayer Pharma AG (DE) 2021-04-21 EP disclosed
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 EP disclosed
WO-2018134335-A1 SUBSTITUTED IMIDAZOPYRIDINPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-26 WO disclosed
US-20180162877-A1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-14 US disclosed
US-20180162877-A1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-14 US disclosed
WO-2016096721-A1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
WO-2015181104-A1 BENZOTHIADIAZOLAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 WO disclosed
WO-2015181104-A1 BENZOTHIADIAZOLAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 WO disclosed
EP-2155689-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-07-08 EP disclosed
WO-2015074986-A1 THIENOPYRIMIDINES AS MKNK1 AND MKNK2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 WO disclosed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 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 (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-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof CCR2, CCRL2, CCR1 NOS3 2586/4885NOS1 3082/4885NOS2 1676/4885
US-20180162877-A1 PYRAZOLOPYRIDINAMINES AS MKNK1 AND MKNK2 INHIBITORS MKNK1, MKNK2, MAP4K5 NOS3 1003/4885NOS1 964/4885NOS2 855/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 NOS3 2302/4885NOS1 1940/4885NOS2 1590/4885

“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.