SCHEMBL1922084

SCHEMBL1922084

COCC1CNCCN1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP2D6 P10635 2/20 0.41
SYK P43405 2/20 0.38
AURKB Q96GD4 2/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL15134687 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6SYK
SCHEMBL3436800 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6SYK
Hydrochloric Acid SCHEMBL16195604 0.98 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6SYK
Hydrochloric Acid SCHEMBL31535515 0.98 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6SYK
Hydrochloric Acid SCHEMBL9582248 0.98 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6SYK
Hydrochloric Acid SCHEMBL31535360 0.98 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6SYK
SCHEMBL2917918 0.89 CYP2D6 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6SYK
Trifluoroacetic Acid SCHEMBL13518942 0.84 PKM (0.37) SLC6A2SLC6A4SLC6A3CYP2D6SYK
SCHEMBL2921380 0.82 CYP2D6 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6SYK
SCHEMBL2918065 0.82 CHRNB4 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388589-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO LTD (CN) 2025-12-25 US disclosed
US-20250276964-A1 Benzisoxazole Derivatives and Uses thereof NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-09-04 US disclosed
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 EP disclosed
WO-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 WO disclosed
US-20250122212-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
CN-117157299-B Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-28 CN disclosed
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
CN-1809557-A Compound ASTRAZENECA AB (SE) 2006-07-26 CN disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO 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 (8 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SLC6A2 3642/4885SLC6A4 1980/4885SLC6A3 3044/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 SLC6A2 3559/4885SLC6A4 3724/4885SLC6A3 3910/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A2 3753/4885SLC6A4 2607/4885SLC6A3 3980/4885
US-20250276964-A1 Benzisoxazole Derivatives and Uses thereof HBZ, ZFX, WIZ SLC6A2 4314/4885SLC6A4 3546/4885SLC6A3 3069/4885
US-20250122212-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 SLC6A2 3054/4885SLC6A4 3133/4885SLC6A3 3108/4885
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP11B2, SDHA, CYP3A43 SLC6A2 3013/4885SLC6A4 3315/4885SLC6A3 3720/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SLC6A2 2629/4885SLC6A4 3221/4885SLC6A3 2910/4885
US-20250388589-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP4A11, CYP11B1, CYP2D6 SLC6A2 413/4885SLC6A4 615/4885SLC6A3 502/4885

“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.