SCHEMBL506552

SCHEMBL506552

NCC1COc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A4 P31645 5/20 0.47
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
HTR2A P28223 3/20 0.42
PSMB5 P28074 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAOB P27338 1/20 0.40
HTR2C P28335 3/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
SLC6A3 Q01959 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
RET P07949 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL28222954 0.85 HTR2A (0.53) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
SCHEMBL6339887 0.85 HTR1A (0.55) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
Hydrochloric Acid SCHEMBL29960409 0.83 HTR2C (0.54) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
SCHEMBL29960467 0.81 ITGB2 (0.41) CYP2D6SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL4223377 0.81 ITGB2 (0.41) CYP2D6SLC6A2SLC6A4HTR2AHTR2C
SCHEMBL2316931 0.80 LTB4R (0.47) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
SCHEMBL2316932 0.80 LTB4R (0.47) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
SCHEMBL6099078 0.80 LTB4R (0.47) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
SCHEMBL2688677 0.80 LTB4R (0.44) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2
SCHEMBL19574896 0.80 LTB4R (0.44) CYP2D6SLC6A2SLC6A4LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7109265-A None JP disclosed
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2024-09-12 US disclosed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
EP-4352049-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Avelos Therapeutics Inc. (KR) 2024-04-17 EP disclosed
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 CN 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-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
CN-108047142-B Heteroaryl compounds and uses thereof 西建卡尔有限责任公司 2021-08-03 CN disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO 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
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 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
JP-H07109265-A 2,3-DIHYDROBENZOFURAN DERIVATIVE ASAHI CHEM IND CO LTD 1995-04-25 JP disclosed
US-4751230-A CONTROLLING CALCIUM CONCENTRATION ADIR ET COMPAGNIE (FR) 1988-06-14 US disclosed
US-4727086-A MODULATORS OF TRANSMEMBRANE AND INTRACELLULAR MOVEMENTS OF CALCIUM ADIR ET COMPAGNIE (FR) 1988-02-23 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 (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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 CYP2D6 10/4885SLC6A2 1313/4885SLC6A4 1403/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CYP2D6 567/4885SLC6A2 259/4885SLC6A4 99/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK CYP2D6 2808/4885SLC6A2 4151/4885SLC6A4 3416/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 CYP2D6 238/4885SLC6A2 4658/4885SLC6A4 4305/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 CYP2D6 3560/4885SLC6A2 4138/4885SLC6A4 4141/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 CYP2D6 1845/4885SLC6A2 3178/4885SLC6A4 2515/4885
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS MAST1, MAST3, MAST4 CYP2D6 4634/4885SLC6A2 4298/4885SLC6A4 4331/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK CYP2D6 2808/4885SLC6A2 4151/4885SLC6A4 3416/4885

“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.