SCHEMBL22299565

SCHEMBL22299565

Cc1cccc([C@@H](C)C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
RECQL P46063 2/20 0.46
HTT P42858 1/20 0.46
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
MAP4K4 O95819 1/20 0.37
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CXCR4 P61073 1/20 0.35
GRM5 P41594 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34

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
SCHEMBL13833509 1.00 CCR1 (0.46) CCR1CCR8RECQLHTTNOS3
SCHEMBL27111327 1.00 CCR1 (0.46) CCR1CCR8RECQLHTTNOS3
SCHEMBL24925771 0.83 HTT (0.43) CCR1CCR8RECQLHTTNOS3
SCHEMBL102150 0.81 CCR1 (0.50) CCR1CCR8RECQLHTTNOS3
SCHEMBL18857235 0.79 PGK1 (0.33) NOS3NOS2CYP3A4HPGDTSHR
SCHEMBL22298872 0.78 HTT (0.43) CCR1CCR8RECQLHTTNOS3
SCHEMBL17015047 0.78 HTT (0.43) CCR1CCR8RECQLHTTNOS3
SCHEMBL22298875 0.78 HTT (0.43) CCR1CCR8RECQLHTTNOS3
SCHEMBL954513 0.78 CCR1 (0.52) CCR1CCR8RECQLHTTNOS3
SCHEMBL25170530 0.77 NOS3 (0.48) CCR1CCR8RECQLHTTNOS3

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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 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 (2 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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 CCR1 1472/4885CCR8 1533/4885RECQL 4568/4885
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT CCR1 3107/4885CCR8 3598/4885RECQL 1936/4885

“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.