SCHEMBL24654875

SCHEMBL24654875

Cc1ccnc2c1ccn2CCF

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
CYP1A2 P05177 5/20 0.33
CYP17A1 P05093 4/20 0.33
MTNR1A P48039 1/20 0.33
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR3A P46098 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL16548362 0.86 CCR1 (0.38) CCR1CCR5CCR8MTNR1APSMD14
SCHEMBL23107317 0.82 CCR1 (0.41) CCR1CCR5CCR8CYP1A2CYP17A1
SCHEMBL21893482 0.79 NCF1 (0.35) CYP1A2CYP17A1MTNR1A
SCHEMBL25527201 0.79 HTR6 (0.33) MTNR1A
SCHEMBL24656162 0.79 HTR6 (0.33) MTNR1A
SCHEMBL29935784 0.77 CCR1 (0.44) CCR1CCR5CCR8MTNR1AKDM4E
SCHEMBL31132326 0.77 CCR1 (0.44) CCR1CCR5CCR8MTNR1AKDM4E
SCHEMBL256209 0.76 CCR1 (0.45) CCR1CCR5CCR8CYP1A2CYP17A1
SCHEMBL30292976 0.76 CCR1 (0.45) CCR1CCR5CCR8CYP1A2CYP17A1
SCHEMBL23107520 0.76 NOTUM (0.47) KDM4EHTTHTR2CL3MBTL1HTR3A

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR5 4295/4885CCR8 4585/4885

“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.