SCHEMBL30191057

SCHEMBL30191057

Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.43
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
CCR5 P51681 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
KMT2A Q03164 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
SCHEMBL13304238 1.00 ALDH1A1 (0.48) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL12176470 1.00 ALDH1A1 (0.48) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL2565247 1.00 ALDH1A1 (0.48) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL18609857 1.00 ALDH1A1 (0.48) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL29726762 1.00 ALDH1A1 (0.48) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL12176271 0.99 ALDH1A1 (0.47) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL13060084 0.98 ALDH1A1 (0.46) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL12176368 0.96 ALDH1A1 (0.43) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL18801841 0.94 EPHX2 (0.43) ALDH1A1USP2HTTTSHRSMN1; SMN2
SCHEMBL12176114 0.94 EPHX2 (0.43) ALDH1A1USP2HTTTSHRSMN1; SMN2

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-20230008966-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2023-01-12 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-20230008966-A1 PROCESSES AND INTERMEDIATES IN THE PREPARATION OF C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 3319/4885USP2 2984/4885HTT 3978/4885

“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.