SCHEMBL441659

SCHEMBL441659

CCNC(=O)C1CCCN(CC)C1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.69
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM2B Q8NHM5 1/20 0.43
TSHR P16473 2/20 0.43
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.42
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 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
SCHEMBL13102181 0.87 BCHE (0.79) BCHEKDM4EKDM2B
SCHEMBL24777711 0.85 BCHE (0.68) BCHEKDM4EALDH1A1SMN1; SMN2KDM2B
SCHEMBL8820146 0.85 BCHE (0.52) BCHEKDM4ESMN1; SMN2KDM2BTSHR
SCHEMBL26999697 0.85 BCHE (0.52) BCHEKDM4ESMN1; SMN2KDM2BTSHR
SCHEMBL3461210 0.83 BCHE (0.51) BCHEKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL21486158 0.82 TSHR (0.57) BCHEKDM4ESMN1; SMN2KDM2BTSHR
SCHEMBL13999836 0.81 BCHE (0.62) BCHEKDM4EALDH1A1MAPK1MAPT
Bromide SCHEMBL10779785 0.81 BCHE (0.97) BCHEKDM4EKDM2B
SCHEMBL3936335 0.81 BCHE (0.67) BCHEALDH1A1MAPK1SMN1; SMN2KDM2B
SCHEMBL15998502 0.81 BCHE (0.67) BCHEALDH1A1MAPK1SMN1; SMN2KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
US-6429282-B1 MIXING PRIMARY AND SECONDARY AMINES WITH EMERALDINE BASE POLYANILINE; STORAGE STABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-08-06 US claimed
WO-2002042361-A1 STABLE, CONCENTRATED SOLUTIONS OF POLYANILINE USING AMINES AS GEL INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-05-30 WO claimed
US-11420973-B2 Amide substituted indole compounds useful as TLR inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-23 US disclosed
EP-3728221-B1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-01 EP disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
US-20200331920-A1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS PROTIX B.V. (NL) 2020-10-22 US disclosed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP disclosed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 US disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
EP-0190709-B1 BENZOXAZINORIFAMYCIN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTI-BACTERIAL AGENT CONTAINING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-12-06 EP disclosed
US-4690919-A Benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-09-01 US disclosed
EP-0190709-A1 Benzoxazinorifamycin derivative, process for preparing the same and anti-bacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-08-13 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 (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-11420973-B2 Amide substituted indole compounds useful as TLR inhibitors TLR9, TLR1, TLR7 BCHE 4871/4885KDM4E 2741/4885ALDH1A1 3363/4885
US-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 BCHE 1249/4885KDM4E 4249/4885ALDH1A1 1130/4885
US-20200331920-A1 AMIDE SUBSTITUTED INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR9, TLR1, TLR7 BCHE 4816/4885KDM4E 2326/4885ALDH1A1 3748/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K BCHE 988/4885KDM4E 1478/4885ALDH1A1 977/4885

“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.