SCHEMBL1844609

SCHEMBL1844609

O=C(O)C1CCSc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL7423767 0.90 HCRTR1 (0.44) NPC1USP2KMT2AMEN1POLB
SCHEMBL5395538 0.84 ALDH1A1 (0.50) NPC1USP2KMT2AMEN1POLB
SCHEMBL5387895 0.84 ALDH1A1 (0.50) NPC1USP2KMT2AMEN1POLB
SCHEMBL5161311 0.79 CTSV (0.38) NPC1KMT2AMEN1POLBTDP1
SCHEMBL11001522 0.78 MAOA (0.35) NPC1KMT2APOLB
SCHEMBL11005690 0.77 SIRT1 (0.37) NPC1KMT2AMEN1POLBTDP1
SCHEMBL5162298 0.77 VHL (0.41) KMT2AMEN1
SCHEMBL8370418 0.76 ALDH1A1 (0.48) NPC1KMT2AMEN1
SCHEMBL8368454 0.75 KDM4C (0.51) NPC1USP2KMT2AMEN1POLB
SCHEMBL11000089 0.74 MAOB (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP claimed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 US claimed
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed
EP-1283837-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2003-02-19 EP disclosed
WO-2001087879-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2001-11-22 WO disclosed
US-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 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 (5 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 NPC1 822/4885USP2 4452/4885KMT2A 1384/4885
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 NPC1 1738/4885USP2 2880/4885KMT2A 1918/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 NPC1 1738/4885USP2 2880/4885KMT2A 1918/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NPC1 3015/4885USP2 4790/4885KMT2A 4456/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S NPC1 2771/4885USP2 3944/4885KMT2A 4747/4885

“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.