SCHEMBL2180630

SCHEMBL2180630

NC1CCN(CCOc2[c]cccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.55
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 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
SCHEMBL956747 0.79 LTA4H (0.51) LTA4H
SCHEMBL2183678 0.78 NOS3 (0.47) HRH3TMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL2180083 0.78 TSHR (0.53) LTA4HHRH1KDM4ESMN1; SMN2DRD2
SCHEMBL4729810 0.78 LTA4H (0.79) LTA4HHRH2HRH1HRH3TMEM97
SCHEMBL4729812 0.78 LTA4H (0.79) LTA4HHRH2HRH1HRH3TMEM97
SCHEMBL2182155 0.77 LTA4H (0.51) LTA4HHRH3KDM4EALDH1A1
SCHEMBL2180631 0.75 LTA4H (0.63) LTA4HHRH2HRH1HRH3TMEM97
SCHEMBL826085 0.75 NPC1 (0.54) LTA4HKDM4EALDH1A1
SCHEMBL24322736 0.72 LMNA (0.63) LTA4HKDM4EALDH1A1SMN1; SMN2HTR1A
SCHEMBL24324263 0.72 LMNA (0.63) LTA4HKDM4EALDH1A1SMN1; SMN2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 LTA4H 3758/4885HRH2 3516/4885HRH1 2972/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR LTA4H 2556/4885HRH2 1747/4885HRH1 3000/4885

“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.