SCHEMBL13178790

SCHEMBL13178790

COc1cc(C(C)C)c(CN(C)C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.40
SLC6A2 P23975 7/20 0.40
SLC6A3 Q01959 7/20 0.40
HTR2A P28223 3/20 0.40
KCNH2 Q12809 2/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13683163 0.80 THRB (0.46) P2RX3P2RX2TAAR1ALDH1A1GAA
SCHEMBL13178788 0.80 TAAR1 (0.49) HTR2AP2RX3P2RX2TAAR1GAA
SCHEMBL13178797 0.78 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL14043918 0.77 GAA (0.48) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL13178795 0.76 P2RX3 (0.39) P2RX3P2RX2TAAR1ALDH1A1GAA
SCHEMBL13683170 0.75 ALDH1A1 (0.50) HTR2AP2RX3P2RX2TAAR1HTR1A
SCHEMBL14039591 0.75 NPC1 (0.52) P2RX3P2RX2TAAR1ALDH1A1GAA
SCHEMBL13178787 0.73 P2RX3 (0.42) SLC6A4HTR2AKCNH2P2RX3P2RX2
SCHEMBL13184317 0.72 MEN1 (0.47) P2RX3P2RX2MEN1ALDH1A1KMT2A
SCHEMBL13178789 0.72 MTNR1A (0.49) SLC6A4HTR2BMEN1ALDH1A1KMT2A

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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 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-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 SLC6A4 3838/4885SLC6A2 4405/4885SLC6A3 4367/4885

“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.