SCHEMBL8434628

SCHEMBL8434628

CC(C)N(C)C1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.38
SLC6A2 P23975 18/20 0.38
SLC6A3 Q01959 9/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL14196261 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL22215286 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL4841218 0.98 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL12362618 0.87 NOS2 (0.38) SLC6A4SLC6A2NOS3NOS1NOS2
SCHEMBL24242503 0.87 NOS2 (0.38) SLC6A4SLC6A2NOS3NOS1NOS2
SCHEMBL5646119 0.86 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3NOS3NOS1
Hydrochloric Acid SCHEMBL20362240 0.85 NOS2 (0.37) SLC6A4SLC6A2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL28747733 0.84 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL13503192 0.80
SCHEMBL13503178 0.78 NOS3 (0.35) SLC6A4SLC6A2SLC6A3NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023249871-A1 SUBSTITUTED PYRROLIDINYL AND PIPERIDINYL COMPOUNDS AND RELATED METHODS OF TREATMENT ALKERMES, INC. (US) 2023-12-28 WO disclosed
US-20230174518-A1 KRAS G12D PROTEIN INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-06-08 US disclosed
WO-2023066204-A1 SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-04-27 WO disclosed
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2022-11-17 US disclosed
WO-2021215544-A1 KRAS G12D PROTEIN INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 WO disclosed
CN-106573907-B Quinoline derivatives and their use for neurodegenerative diseases 默克专利有限公司 2020-09-08 CN disclosed
US-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-05-19 US disclosed
US-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-03-31 US disclosed
US-20190125740-A1 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-05-02 US disclosed
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF MED-PATHWAYS II LIMITED (VG) 2019-04-25 US disclosed
EP-3152192-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-04-12 EP disclosed
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-9399623-B2 Quinoline derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
US-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 US disclosed
WO-2015187905-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2015-12-10 WO disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-7235580-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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 (9 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-20150353497-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 SLC6A4 161/4885SLC6A2 99/4885SLC6A3 97/4885
US-20230174518-A1 KRAS G12D PROTEIN INHIBITORS KRAS, NRAS, HRAS SLC6A4 4720/4885SLC6A2 4755/4885SLC6A3 4622/4885
US-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 SLC6A4 3967/4885SLC6A2 4562/4885SLC6A3 3792/4885
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK2 SLC6A4 3967/4885SLC6A2 4562/4885SLC6A3 3792/4885
US-20160296509-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX7, P2RX3, P2RX1 SLC6A4 161/4885SLC6A2 99/4885SLC6A3 97/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 SLC6A4 1093/4885SLC6A2 1393/4885SLC6A3 1466/4885
US-20190125740-A1 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK2, DYRK3 SLC6A4 3515/4885SLC6A2 4314/4885SLC6A3 3194/4885
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF TGFBR2, SMAD2, ACVR2A SLC6A4 4341/4885SLC6A2 3189/4885SLC6A3 4331/4885
US-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 SLC6A4 3629/4885SLC6A2 4458/4885SLC6A3 3254/4885

“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.