SCHEMBL26418017

SCHEMBL26418017

CCC1Cc2ccc(-c3ccccn3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FAAH O00519 4/20 0.42
DRD2 P14416 2/20 0.41
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
PDK2 Q15119 1/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL16595234 0.85 FAAH (0.45) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13291983 0.83 FAAH (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26818703 0.81 FAAH (0.49) FAAHKCNH2MCHR1KDM2B
SCHEMBL28665803 0.80 FAAH (0.44) CYP1A2FAAHDRD2KCNH2MCHR1
SCHEMBL21557578 0.77 FAAH (0.54) FAAHGSK3BDYRK1A
SCHEMBL21557433 0.77 FAAH (0.51) CYP2C19FAAHKCNH2MCHR1KDM4E
SCHEMBL16595237 0.77 FAAH (0.45) CYP1A2FAAHDRD2KCNH2MCHR1
SCHEMBL31404170 0.75 FAAH (0.58) FAAH
SCHEMBL31404151 0.75 FAAH (0.58) FAAH
SCHEMBL21557425 0.75 FAAH (0.58) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132370-A9 CRYSTAL FORMS OF THIAZOLE COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-04-27 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-20230132370-A9 CRYSTAL FORMS OF THIAZOLE COMPOUND AND APPLICATION THEREOF ZC3HAV1L, ZC3HAV1, RPL35 CYP1A2 1122/4885CYP2D6 1349/4885CYP19A1 1046/4885

“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.