SCHEMBL987884

SCHEMBL987884

NC(=O)CCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
CAPN1 P07384 1/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAOB P27338 4/20 0.48
MAOA P21397 2/20 0.48
PRMT1 Q99873 1/20 0.46
RECQL P46063 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FDPS P14324 1/20 0.44
FFAR1 O14842 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CYP19A1 P11511 1/20 0.42
KEAP1 Q14145 1/20 0.41

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
SCHEMBL547175 0.89 GFER (0.54) GFERALDH1A1MAOBMAOARECQL
SCHEMBL31577196 0.85 MAOB (0.55) GFERMAOB
SCHEMBL5945697 0.83 KMT2A (0.50) ALDH1A1LMNAPRMT1
SCHEMBL73828 0.82 FFAR1 (0.65) GFERMAOBMAOAFFAR1KEAP1
SCHEMBL4667379 0.82 CAPN1 (0.52) CAPN1ALDH1A1LMNAPRMT1FFAR1
SCHEMBL18586398 0.82 CAPN1 (0.52) CAPN1ALDH1A1LMNAPRMT1FFAR1
SCHEMBL154384 0.82 CA2 (0.61) CAPN1ALDH1A1LMNAPRMT1RECQL
Hydrochloric Acid SCHEMBL3128046 0.80 FFAR1 (0.63) GFERMAOBMAOAFFAR1KEAP1
SCHEMBL5498931 0.80 GFER (0.54) GFERALDH1A1MAOBMAOARECQL
SCHEMBL1404834 0.80 ALDH1A1 (0.63) GFERALDH1A1LMNAMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN claimed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN claimed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide 1987-04-01 CN claimed
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US disclosed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP disclosed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO disclosed
CN-1011784-B Process for preparing antiallergic and antimuscotromospasm agents N-benzhydryldiazacycloalkylalkyl anilides RECKORDATY CHEMICALS CORP (CH) 1991-02-27 CN disclosed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 US disclosed
CN-86105641-A The method for preparing antianaphylaxis and antibronchospasm of N-dibenzyl-diazacyclo alkyl-alkyl-anilide 1987-04-01 CN disclosed
US-4261883-A OLIGOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-04-14 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 (4 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-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GFER 2160/4885CAPN1 3529/4885ALDH1A1 1152/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GFER 2160/4885CAPN1 3529/4885ALDH1A1 1152/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C GFER 2160/4885CAPN1 3529/4885ALDH1A1 1152/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C GFER 2160/4885CAPN1 3529/4885ALDH1A1 1152/4885

“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.