SCHEMBL6975129

SCHEMBL6975129

CNC1(O)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
HDAC9 Q9UKV0 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8054529 1.00 KDM1A (0.42) KDM1AMAOBHDAC9SIGMAR1MAPK1
SCHEMBL10483582 0.89 KDM1A (0.51) KDM1ASIGMAR1
SCHEMBL30786026 0.81 KDM1A (0.42) KDM1AMAOBHDAC9MAPK1SMN1; SMN2
SCHEMBL20362220 0.81 KDM1A (0.42) KDM1AMAOBHDAC9MAPK1SMN1; SMN2
SCHEMBL3665678 0.77 HDAC9 (0.42) KDM1AMAOBHDAC9MAPK1SMN1; SMN2
SCHEMBL4348712 0.76 MAOB (0.38) KDM1AMAOBHDAC9SIGMAR1MAPK1
SCHEMBL18088803 0.74 KDM1A (0.44) KDM1AMAOBHDAC9
SCHEMBL13198414 0.74 KDM1A (0.44) KDM1AMAOBHDAC9
SCHEMBL3941515 0.74 KDM1A (0.46) KDM1AMAOBHDAC9SIGMAR1MAPK1
SCHEMBL19130582 0.74 KDM1A (0.46) KDM1AMAOBHDAC9SIGMAR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923556-B1 AN ASYMMETRIC CONJUGATE ADDITION REACTION MERCK & CO INC (US) 2003-10-08 EP disclosed
EP-1070041-B1 PHOSPHATE-MEDIATED CYCLIZATION MERCK & CO INC (US) 2003-07-02 EP disclosed
US-20020107391-A1 Process for the synthesis of an endothelin receptor antagonist FREY LISA F (US) 2002-08-08 US disclosed
EP-1070062-B1 OXIDATION PROCESS USING TEMPO MERCK & CO INC (US) 2002-03-06 EP disclosed
EP-1070061-A4 OXIDATION PROCESS USING PERIODIC ACID MERCK & CO INC (US) 2001-11-07 EP disclosed
EP-1070041-A4 PHOSPHATE-MEDIATED CYCLIZATION MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1070041-A1 PHOSPHATE-MEDIATED CYCLIZATION Merck & Co., Inc. (a New Jersey corp.) (US) 2001-01-24 EP disclosed
EP-1070062-A1 OXIDATION PROCESS USING TEMPO Merck & Co., Inc. (US) 2001-01-24 EP disclosed
EP-1070061-A1 OXIDATION PROCESS USING PERIODIC ACID Merck & Co., Inc. (US) 2001-01-24 EP disclosed
US-6172231-B1 ENDOTHELIN ANTAGONIST MERCK & CO., INC. 2001-01-09 US disclosed
WO-1999052899-A1 OXIDATION PROCESS USING PERIODIC ACID MERCK & CO., INC. (US) 1999-10-21 WO disclosed
WO-1999050205-A2 ASYMMETRIC GRIGNARD SYNTHESIS WITH CYCLIC 1,2 AMINOALCOHOLS SEPRACOR INC. (US) 1999-10-07 WO disclosed
US-5962688-A Stereoselective deoxygenation reaction MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0923557-A1 STEREOSELECTIVE DEOXYGENATION REACTION Merck & Co., Inc. (US) 1999-06-23 EP disclosed
EP-0923556-A1 AN ASYMMETRIC CONJUGATE ADDITION REACTION Merck & Co., Inc. (US) 1999-06-23 EP disclosed
US-5849914-A Compounds formed by an asymmetric conjugate addition reaction MERCK & CO., INC. (US) 1998-12-15 US disclosed
WO-1998006700-A1 STEREOSELECTIVE DEOXYGENATION REACTION MERCK & CO., INC. (US) 1998-02-19 WO disclosed
WO-1998006698-A1 AN ASYMMETRIC CONJUGATE ADDITION REACTION MERCK & CO., INC. (US) 1998-02-19 WO disclosed
EP-0321175-A1 Indane derivatives BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed
EP-0179667-A2 N6-substituted adenosines WARNER-LAMBERT COMPANY (US) 1986-04-30 EP 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 (1 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-20020107391-A1 Process for the synthesis of an endothelin receptor antagonist EDNRA, EDNRB, AGTR2 KDM1A 3132/4885MAOB 447/4885HDAC9 3773/4885

“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.