SCHEMBL21132233

SCHEMBL21132233

Cc1ccc(C(C)(C)CCC(C)(C)c2ccc(C)c(C(F)(F)F)c2)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
NOTUM Q6P988 1/20 0.33
S1PR1 P21453 2/20 0.33
CES2 O00748 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
POLQ O75417 2/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AR P10275 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL8415470 0.81 PDE2A (0.47) PDE2ANOTUMCES2TAS2R14KIF11
SCHEMBL799856 0.81 KIF11 (0.44) PDE2ANOTUMS1PR1CES2TAS2R14
SCHEMBL24722133 0.79 AR (0.34) PDE2ACES2FFAR1FFAR4AR
SCHEMBL19426786 0.78 PDE2A (0.38) PDE2ANOTUMS1PR1CES2CTSS
SCHEMBL1538689 0.77 CES2 (0.50) PDE2ANOTUMS1PR1CES2TAS2R14
SCHEMBL1927914 0.75 TSHR (0.46) KIF11
SCHEMBL30786333 0.75 TSHR (0.46) KIF11
SCHEMBL25767550 0.74 PDE2A (0.38) PDE2ANOTUMCES2KIF11
SCHEMBL1995277 0.74 CES2 (0.40) PDE2ANOTUMS1PR1CES2TAS2R14
SCHEMBL25767609 0.74 PDE2A (0.41) PDE2ANOTUMS1PR1CES2TAS2R14

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-10759807-B2 Diaryl substituted 5,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-09-01 US disclosed
US-20190194208-A1 DIARYL SUBSTITUTED 5,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 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 (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-10759807-B2 Diaryl substituted 5,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 PDE2A 916/4885CNR1 231/4885CNR2 429/4885
US-20190194208-A1 DIARYL SUBSTITUTED 5,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 PDE2A 916/4885CNR1 231/4885CNR2 429/4885

“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.