SCHEMBL2885440

SCHEMBL2885440

Cc1cc(N2CCC3CN(C)C=C32)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCHR1 Q99705 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
PTK2B Q14289 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL2884855 0.81 MAPT (0.40) RAD52GAAKDM4EMAPTTHRB
SCHEMBL4261820 0.81 MAPT (0.40) RAD52GAAKDM4EMAPTTHRB
SCHEMBL3065769 0.69 GFER (0.52) GAAKDM4EMAPTALDH1A1TSHR
SCHEMBL6220147 0.67 RAD52 (0.50) RAD52GAAKDM4EMAPTTHRB
SCHEMBL17264102 0.66 GAA (0.61) RAD52GAAKDM4EMAPTTHRB
SCHEMBL6151434 0.66 GAA (0.77) RAD52GAAKDM4EMAPTTHRB
SCHEMBL15358759 0.66 GAA (0.77) RAD52GAAKDM4EMAPTTHRB
SCHEMBL22652016 0.66 GAA (0.60) RAD52GAAKDM4EMAPTALDH1A1
SCHEMBL5390127 0.66 GAA (0.53) RAD52GAAKDM4EMAPTTHRB
SCHEMBL14938616 0.66 GAA (0.53) RAD52GAAKDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 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 (2 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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT RAD52 4390/4885GAA 688/4885KDM4E 1496/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT RAD52 4390/4885GAA 688/4885KDM4E 1496/4885

“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.