SCHEMBL18790113

SCHEMBL18790113

Cc1cccc(C)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ UBE2M P61081 2/20 0.41
▸ DCUN1D1 Q96GG9 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL25132778 0.94 EPHX2 (0.43) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL18532611 0.93 HCRTR1 (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL24016940 0.91 UBE2M (0.52) ALDH1A1MAPTSMN1; SMN2RXFP1UBE2M
SCHEMBL21163886 0.91 RXFP1 (0.48) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL25132776 0.89 RXFP1 (0.44) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL14959037 0.89 RXFP1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL13326616 0.89 RXFP1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL12176345 0.89 RXFP1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL18609357 0.89 RXFP1 (0.43) ALDH1A1CYP1A2CYP2C9RXFP1UBE2M
SCHEMBL12176321 0.89 CYP1A2 (0.40) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C9

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-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 — — 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-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 ALDH1A1 2966/4885MAPT 4107/4885SMN1; SMN2 2376/4885

“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.

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