SCHEMBL506553

SCHEMBL506553

CNC1COc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
CYP2D6 P10635 7/20 0.42
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR2A P28223 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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 SCHEMBL30799506 0.98 PDPK1 (0.44) PDPK1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL29858433 0.80 PDPK1 (0.52) PDPK1HTR2A
SCHEMBL7500388 0.80 PDPK1 (0.52) PDPK1HTR2A
SCHEMBL22997177 0.80 PDPK1 (0.52) PDPK1HTR2A
SCHEMBL130896 0.80 PDPK1 (0.52) PDPK1HTR2A
SCHEMBL31136765 0.80 POLB (0.40) PDPK1SLC6A2SLC6A3HTR2A
SCHEMBL24915634 0.79 LTB4R (0.45) CYP2D6SLC6A2SLC6A4HTR2ALTB4R
SCHEMBL5019356 0.79 HTR2A (0.48) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL3829666 0.76 P2RX7 (0.45) HTR2ALTB4RLTB4R2
SCHEMBL14682162 0.76 CYP19A1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070134-A Use of PRMT5 inhibitors in the treatment of tumors or cancers 上海湃隆生物科技有限公司 2026-05-19 CN disclosed
WO-2025077857-A1 USE OF PRMT5 INHIBITOR IN TREATMENT OF TUMORS OR CANCERS 上海湃隆生物科技有限公司 2025-04-17 WO disclosed
WO-2024067433-A1 NOVEL PRMT5 INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2024-04-04 WO disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 WO disclosed
US-20220331321-A1 ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2022-10-20 US disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PDPK1 3535/4885CYP2D6 567/4885SLC6A2 259/4885
US-20220331321-A1 ANTIMALARIAL AGENTS CTSL, SERPINA3, SERPINB1 PDPK1 1974/4885CYP2D6 1520/4885SLC6A2 3513/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PDPK1 2693/4885CYP2D6 264/4885SLC6A2 223/4885

“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.