SCHEMBL2182155

SCHEMBL2182155

CN1CCN(CCOc2[c]cccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR1B P28222 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
RAD52 P43351 1/20 0.41
MC4R P32245 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
SCHEMBL6292255 0.92 HRH3 (0.54) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL956747 0.87 LTA4H (0.51) LTA4HTDP1POLB
SCHEMBL2180083 0.86 TSHR (0.53) LTA4HKDM4EDRD3TDP1POLB
SCHEMBL826085 0.83 NPC1 (0.54) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL2183678 0.80 NOS3 (0.47) ALDH1A1KDM4EHRH3
SCHEMBL28434248 0.80 RAB9A (0.51) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL8623642 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EDRD3HRH3NPC1
SCHEMBL28273576 0.79 NPC1 (0.63) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL28424137 0.79 RAB9A (0.56) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL2183909 0.78 SIGMAR1 (0.51) LTA4HALDH1A1MEN1KMT2ADRD3

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO 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 3758/4885ALDH1A1 1526/4885KDM4E 2362/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR LTA4H 2556/4885ALDH1A1 245/4885KDM4E 4180/4885

“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.