SCHEMBL682723

SCHEMBL682723

CCc1ccc2c(C(=O)C(C)C)c(C(C)C)nn2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.59
MIF P14174 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PDE5A O76074 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
PDE4A P27815 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
CYP2C19 P33261 1/20 0.59
BLM P54132 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
PDE3B Q13370 1/20 0.59
PDE3A Q14432 1/20 0.59

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
SCHEMBL683931 0.82 MIF (0.63) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL683509 0.82 MIF (0.63) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL683875 0.81 MIF (0.62) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL682719 0.81 MIF (0.62) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL683571 0.81 MIF (0.62) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL10499970 0.81 MIF (0.38) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL10500308 0.79 MIF (0.33) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL682721 0.78 MEN1 (0.59) CYP2D6MIFALDH1A1CYP1A2MEN1
SCHEMBL10499772 0.74 THRB (0.36) CYP2D6MIFALDH1A1CYP1A2MEN1
Ibudilast SCHEMBL30390 0.74 PDE4B (1.00) CYP2D6MIFALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF CYP2D6 4428/4885MIF 529/4885ALDH1A1 1565/4885

“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.