SCHEMBL188753

SCHEMBL188753

CN1CCc2ccc(N)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
SLC6A4 P31645 1/20 0.52
NR1H2 P55055 1/20 0.51
DRD1 P21728 4/20 0.49
DRD5 P21918 3/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
NOS3 P29474 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL29506615 1.00 MAOA (0.55) MAOAMAOBSLC6A4NR1H2DRD1
Hydrochloric Acid SCHEMBL4513459 0.98 MAOA (0.57) MAOAMAOBSLC6A4NR1H2DRD1
SCHEMBL30561544 0.94 MAOA (0.59) MAOAMAOBSLC6A4NR1H2DRD1
SCHEMBL218317 0.94 MAOA (0.59) MAOAMAOBSLC6A4NR1H2DRD1
Hydrochloric Acid SCHEMBL4521948 0.92 MAOA (0.60) MAOAMAOBSLC6A4NR1H2DRD1
SCHEMBL216418 0.92 DRD1 (0.51) MAOAMAOBSLC6A4NR1H2DRD1
Hydrochloric Acid SCHEMBL3773192 0.90 DRD1 (0.50) MAOAMAOBSLC6A4NR1H2DRD1
Hydrochloric Acid SCHEMBL4591079 0.90 DRD1 (0.50) MAOAMAOBSLC6A4NR1H2DRD1
SCHEMBL1951275 0.89 DRD1 (0.49) MAOAMAOBNR1H2DRD1DRD5
SCHEMBL188773 0.85 KDM4E (0.43) MAOAMAOBNR1H2DRD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US claimed
EP-1032570-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2000-09-06 EP claimed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 WO claimed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-20250282794-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2025-09-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
CN-118176195-A Pyrazolo [3,4-d ] pyrimidine-3-ketone compound and medical application thereof 正大天晴药业集团股份有限公司 2024-06-11 CN disclosed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 WO disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 WO disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed
EP-0808307-A1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1997-11-26 EP disclosed
WO-1996024588-A1 BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1996-08-15 WO disclosed
US-4022900-A Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents MARION LABORATORIES, INC. (US) 1977-05-10 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 (4 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 MAOA 1599/4885MAOB 2431/4885SLC6A4 2884/4885
US-20250282794-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 PDXK, PGK1, CMPK1 MAOA 3791/4885MAOB 3285/4885SLC6A4 4641/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 MAOA 4748/4885MAOB 4606/4885SLC6A4 4241/4885
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B MAOA 4159/4885MAOB 3948/4885SLC6A4 4697/4885

“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.