SCHEMBL5256528

SCHEMBL5256528

CCCN(CC)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.55
▸ EYA2 O00167 1/20 0.55
▸ APP P05067 1/20 0.55
▸ ACE P12821 1/20 0.55
▸ TSHR P16473 3/20 0.52
▸ BLM P54132 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ CHRM2 P08172 2/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL26316378 0.91 TDP1 (0.61) TDP1EYA2APPACETSHR
SCHEMBL6254463 0.90 TDP1 (0.68) TDP1EYA2APPACETSHR
SCHEMBL8988039 0.90 TDP1 (0.68) TDP1EYA2APPACETSHR
SCHEMBL170505 0.90 TSHR (0.65) TDP1EYA2APPACETSHR
SCHEMBL19018808 0.87 TSHR (0.70) TDP1EYA2APPACETSHR
SCHEMBL16317687 0.87 TSHR (0.70) TDP1EYA2APPACETSHR
SCHEMBL18251067 0.87 TDP1 (0.65) TDP1EYA2APPACETSHR
SCHEMBL1102344 0.87 TDP1 (0.70) TDP1EYA2APPACETSHR
SCHEMBL30788728 0.87 TSHR (0.62) TDP1EYA2APPACETSHR
Hydrochloric Acid SCHEMBL7108936 0.87 TSHR (0.62) TDP1EYA2APPACETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 — — US disclosed
CN-112574061-B TRPV1 agonist and preparation method and application thereof 南京清普生物科技有限公司 2023-05-19 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2021063373-A1 TRPV1 AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京清普生物科技有限公司 2021-04-08 — — WO disclosed
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-05-05 — — US disclosed
US-7973162-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 — — US disclosed
CN-1642929-B Kappa-opioid receptor agonists containing 2-phenylbenzothiazoline derivatives SANTEN PHARMACEUTICAL CO LTD 2010-05-12 — — CN disclosed
CN-100522954-C Kappa-opioid receptor agonist composed of 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2009-08-05 — — CN disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 — — EP disclosed
CN-1911918-A Kappa-opioid receptor agonist composed of 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2007-02-14 — — CN disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 — — EP disclosed
US-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 — — US disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 — — WO disclosed
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 — — EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 — — EP disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 — — WO disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 — — WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 — — EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 — — WO disclosed
US-3954845-A Synthetic detergents of the ampholytic betaine type, process for preparing the same and compositions MODOKEMI AKTIEBOLAG (SW) 1976-05-04 — — 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 (2 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 TDP1 2781/4885EYA2 2003/4885APP 1245/4885
US-20160120987-A1 CHEMICAL STRUCTURES FOR LOCALIZED DELIVERY OF THERAPEUTIC AGENTS FABP1, EPCAM, CD44 TDP1 3097/4885EYA2 908/4885APP 3259/4885

“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.

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