SCHEMBL3425809

SCHEMBL3425809

COCC(=O)N1CC[C@@H](N)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
KDM1A O60341 3/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PAX8 Q06710 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC9A1 P19634 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL2686951 1.00 GNAI3 (0.41) GNAI3GNAO1GNAI1KDM1AMAOA
SCHEMBL3397338 0.90 ALDH1A1 (0.44) KDM1AKMT2AALDH1A1KDM4EMEN1
SCHEMBL67753 0.90 ALDH1A1 (0.44) KDM1AKMT2AALDH1A1KDM4EMEN1
SCHEMBL3425272 0.90 ALDH1A1 (0.44) KDM1AKMT2AALDH1A1KDM4EMEN1
SCHEMBL584259 0.89 GNAI3 (0.51) GNAI3GNAO1GNAI1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27080580 0.87 GNAI3 (0.54) GNAI3GNAO1GNAI1KMT2AALDH1A1
SCHEMBL3398142 0.85 ALDH1A1 (0.38) KMT2AALDH1A1PAX8CYP2C9CYP2C19
SCHEMBL2440877 0.81 KDM1A (0.44) GNAI3GNAO1GNAI1KDM1AMAOA
SCHEMBL3398489 0.81 KDM1A (0.44) GNAI3GNAO1GNAI1KDM1AMAOA
SCHEMBL2215725 0.81 KDM1A (0.44) GNAI3GNAO1GNAI1KDM1AMAOA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 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 (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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT GNAI3 2791/4885GNAO1 3474/4885GNAI1 2622/4885

“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.