SCHEMBL242929

SCHEMBL242929

Nc1ccc(CC(N)[C]=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
SOAT1 P35610 1/20 0.36
SLC6A4 P31645 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL2269387 1.00 GFER (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL242930 1.00 GFER (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7431808 0.81 TAAR1 (0.40) DPP4DPP8DPP9DPP7SLC6A4
SCHEMBL2267252 0.81 SLC6A4 (0.59) DPP4DPP8DPP9DPP7SLC6A4
SCHEMBL9503514 0.81 CA2 (0.41) ALDH1A1TSHRTDP1MAOASLC6A4
SCHEMBL8201384 0.81 CYP1A2 (0.41) CYP3A4DPP4DPP8DPP9DPP7
SCHEMBL2268272 0.81 LOXL2 (0.43) LOXL2MAOBMAOADPP4DPP8
SCHEMBL1972357 0.81 FFAR1 (0.41) DPP4DPP8DPP9DPP7TAAR1
SCHEMBL2267270 0.81 TAAR1 (0.40) DPP4DPP8DPP9DPP7SLC6A4
SCHEMBL6335 0.81 TAAR1 (0.55) ALDH1A1CYP3A4MEN1KMT2ASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN NOVARTIS AG (CH) 2016-02-25 US claimed
US-20110318329-A1 METHOD OF TREATMENT OR PROPHYLAXIS NOVARTIS AG (CH) 2011-12-29 US claimed
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN UNIVERSITY OF QUEENSLAND (AU) 2010-11-18 US claimed
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP claimed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO claimed
EP-1830869-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-12 EP claimed
US-20060223741-A1 Method of treatment or prophylaxis THE UNIVERSITY OF QUEENSLAND (AU) 2006-10-05 US claimed
WO-2006066361-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2006-06-29 WO claimed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US claimed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP claimed
WO-2001038397-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
US-5760002-A ANALGESICS THE PROCTOR & GAMBLE COMPANY (US) 1998-06-02 US claimed
EP-0675901-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-10-11 EP claimed
WO-1994014842-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1994-07-07 WO claimed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN NOVARTIS AG (CH) 2016-02-25 US disclosed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 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-20060223741-A1 Method of treatment or prophylaxis AGTR2, AGTR1, NTSR2 GFER 1249/4885ALDH1A1 1906/4885CYP3A4 4693/4885
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN AGTR2, AGTR1, BDKRB2 GFER 1408/4885ALDH1A1 3463/4885CYP3A4 4672/4885
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 GFER 1382/4885ALDH1A1 2034/4885CYP3A4 4499/4885
US-20110318329-A1 METHOD OF TREATMENT OR PROPHYLAXIS AGTR2, AGTR1, NTSR2 GFER 1249/4885ALDH1A1 1906/4885CYP3A4 4693/4885

“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.