SCHEMBL12176605

SCHEMBL12176605

Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C3CC3)c2)C1[C@@H]1C=CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ACKR3 P25106 1/20 0.35

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
SCHEMBL13060052 1.00 CYP1A2 (0.39) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL12176000 0.89 ALDH1A1 (0.45) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL12176554 0.88 TRPM8 (0.41) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL12176555 0.87 CYP1A2 (0.38) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL12176320 0.86 UBE2M (0.46) ALDH1A1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL12176040 0.85 CYP1A2 (0.36) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL13060132 0.85 ALDH1A1 (0.37) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL12176304 0.85 ALDH1A1 (0.37) CYP1A2CYP2C9ALDH1A1MAPTSMN1; SMN2
SCHEMBL13059343 0.84 CFD (0.49) CYP2C9
SCHEMBL20879776 0.83 ALDH1A1 (0.45) CYP1A2CYP2C9ALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 — — US disclosed
US-20100160320-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-06-24 — — 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-20100160320-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP1A2 2891/4885CYP2C9 2859/4885ALDH1A1 2966/4885
US-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 CYP1A2 2891/4885CYP2C9 2859/4885ALDH1A1 2966/4885

“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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