SCHEMBL13178792

SCHEMBL13178792

COc1cc(C(C)C)c(CNCC2CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
LPAR1 Q92633 2/20 0.37
CXCR4 P61073 3/20 0.36
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 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
SCHEMBL13683170 0.82 ALDH1A1 (0.50) CYP2D6CYP2C19P2RX3P2RX2LPAR1
SCHEMBL13184317 0.81 MEN1 (0.47) CYP2D6MEN1CYP3A4CYP2C19KMT2A
SCHEMBL13178799 0.79 KMT2A (0.55) CYP2D6MEN1CYP3A4CYP2C19KMT2A
SCHEMBL14043918 0.79 GAA (0.48) P2RX3P2RX2HTR2AKCNH2
SCHEMBL13178795 0.77 P2RX3 (0.39) P2RX3P2RX2LPAR1ALDH1A1
SCHEMBL13178791 0.77 P2RX3 (0.38) MEN1KMT2AP2RX3P2RX2LPAR1
SCHEMBL5013641 0.77 POLB (0.43) CYP2D6MEN1TP53CYP3A4CYP2C9
SCHEMBL13178789 0.76 MTNR1A (0.49) CYP2D6MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL13683163 0.75 THRB (0.46) P2RX3P2RX2LPAR1ALDH1A1MAPT
SCHEMBL13178788 0.72 TAAR1 (0.49) P2RX3P2RX2HTR2A

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-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 CYP2D6 2805/4885MEN1 3626/4885TP53 4075/4885

“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.