SCHEMBL8508772

SCHEMBL8508772

OC(CC1CCC1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
AOC3 Q16853 1/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 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
SCHEMBL30958959 0.90 MGLL (0.40) AOC3GMNNTP53CYP3A4ALOX15
SCHEMBL30958966 0.90 MGLL (0.40) AOC3GMNNTP53CYP3A4ALOX15
SCHEMBL6614694 0.78 DPEP1 (0.38)
SCHEMBL9347257 0.77 ALDH1A1 (0.44) AOC3GMNNTP53CYP3A4ALOX15
SCHEMBL9347267 0.77 ALDH1A1 (0.44) AOC3GMNNTP53CYP3A4ALOX15
SCHEMBL7496186 0.77 CYP1A2 (0.59) CYP1A2CYP2D6HIF1ATSHRNFKB1
SCHEMBL10021113 0.76 METAP2 (0.47) CYP1A2CYP2D6HIF1A
SCHEMBL10633563 0.76 SLC6A2 (0.54) AOC3GMNNTP53CYP3A4ALOX15
SCHEMBL18660426 0.76 NFE2L2 (0.44) CYP1A2CYP2D6HIF1A
SCHEMBL13232182 0.76 EPHX1 (0.49) CYP1A2CYP2D6HIF1ATP53NFKB1

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-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 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-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP1A2 848/4885CYP2D6 540/4885HIF1A 4307/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP1A2 848/4885CYP2D6 540/4885HIF1A 4307/4885

“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.