SCHEMBL2089551

SCHEMBL2089551

CN1Cc2ccccc2CC1C=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE8B O95263 1/20 0.36
▸ ACE P12821 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL13681899 1.00 OPRM1 (0.39) OPRM1OPRL1MAOAMAOBNOTUM
SCHEMBL24115287 0.78 NOTUM (0.37) NOTUMSIGMAR1NPC1PKMRAB9A
SCHEMBL12387928 0.78 SIGMAR1 (0.36) NOTUMSIGMAR1ALDH1A1ACE
SCHEMBL28280223 0.77 ADRA2A (0.41) NOTUMCYP1A2CYP2D6ACHE
SCHEMBL17559354 0.75 ACE (0.46) ALDH1A1ACE
SCHEMBL5243620 0.75 ACE (0.46) ALDH1A1ACE
SCHEMBL3898933 0.75 ACE (0.46) ALDH1A1ACE
SCHEMBL19473353 0.74 ADORA2A (0.33) NOTUMSIGMAR1ALDH1A1ACE
SCHEMBL19473382 0.74 ADORA2A (0.33) NOTUMSIGMAR1ALDH1A1ACE
SCHEMBL10065836 0.73 OPRM1 (0.44) OPRM1OPRL1NOTUMALDH1A1PDE8B

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
JP-4508413-B2 — — 2010-07-21 — — JP claimed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 — — US claimed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 — — EP claimed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 — — US claimed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 — — US claimed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 — — EP claimed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 — — WO claimed
WO-2021067405-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 — — WO disclosed
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 — — EP disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 — — US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 — — US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 — — US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 — — US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 — — US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 — — US disclosed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 — — EP disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 — — US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 — — US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 — — 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-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BACE1, APP, BACE2 OPRM1 3932/4885OPRL1 2745/4885MAOA 1646/4885
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO OPRM1 3123/4885OPRL1 689/4885MAOA 1329/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 OPRM1 3262/4885OPRL1 767/4885MAOA 1213/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO OPRM1 3123/4885OPRL1 689/4885MAOA 1329/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO OPRM1 3123/4885OPRL1 689/4885MAOA 1329/4885

“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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