SCHEMBL65696

SCHEMBL65696

COC(=O)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
NPC1 O15118 8/20 0.59
RAB9A P51151 7/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
HDAC3 O15379 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
POLB P06746 1/20 0.56
SIRT6 Q8N6T7 1/20 0.55
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.53

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 SCHEMBL14645193 0.98 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL64153 0.94 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL29245012 0.92 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2951325 0.86 ALDH1A1 (0.71) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL20897465 0.86 ALDH1A1 (0.71) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL30277672 0.85 CA1 (0.61) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL5742108 0.84 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL63698 0.83 MAPT (0.63) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL3025580 0.83 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL12551037 0.83 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146176-B GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-11-15 CN disclosed
CN-118239923-A Compounds useful as inhibitors of factor XIIa, pharmaceutical compositions and uses thereof 合肥工业大学 2024-06-25 CN disclosed
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed
CN-110835334-B Indole-substituted azole compound and application thereof 中国药科大学 2022-10-18 CN disclosed
CN-110835333-B Benzimidazole substituted azole compound and application thereof 中国药科大学 2022-10-18 CN disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors NORVARTIS AG (CH) 2005-12-01 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-6642239-B2 Compounds such as N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(piperazin-1-yl)-benzamide NOVARTIS AG (CH) 2003-11-04 US disclosed
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors MISSBACH MARTIN (CH) 2003-10-30 US disclosed
EP-1254124-A1 DIPEPTIDE NITRILE CATHPSIN K INHIBITORS Novartis AG (CH) 2002-11-06 EP disclosed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US disclosed
WO-2001058886-A1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2001-08-16 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 (6 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-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR ALDH1A1 3526/4885NPC1 1891/4885RAB9A 1754/4885
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS ALDH1A1 2798/4885NPC1 64/4885RAB9A 811/4885
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSL, CTSV ALDH1A1 2814/4885NPC1 74/4885RAB9A 1825/4885
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS ALDH1A1 2798/4885NPC1 64/4885RAB9A 811/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R ALDH1A1 716/4885NPC1 457/4885RAB9A 1063/4885
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof NOS2, NOS1, NOS3 ALDH1A1 1897/4885NPC1 3672/4885RAB9A 2214/4885

“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.