SCHEMBL13327392

SCHEMBL13327392

Cc1ccccc1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC(C)(C)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ UBE2M P61081 3/20 0.39
▸ DCUN1D1 Q96GG9 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ GIPR P48546 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL14960509 1.00 RXFP1 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL18790161 1.00 RXFP1 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL14959092 0.94 RXFP1 (0.42) RXFP1HSD17B10UBE2MDCUN1D1CYP1A2
SCHEMBL15088237 0.94 RXFP1 (0.37) RXFP1UBE2MDCUN1D1CYP1A2CYP2C9
SCHEMBL15088254 0.92 EPHX2 (0.39) RXFP1UBE2MDCUN1D1ALDH1A1ACKR3
SCHEMBL17805408 0.92 ACKR3 (0.39) RXFP1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL14960520 0.92 ACKR3 (0.39) RXFP1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL18790160 0.92 ACKR3 (0.39) RXFP1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL18790138 0.91 GCGR (0.39) RXFP1UBE2MDCUN1D1ALDH1A1USP2
SCHEMBL20879839 0.91 GCGR (0.39) RXFP1UBE2MDCUN1D1ALDH1A1USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 — — EP disclosed
US-20170065604-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-03-09 — — 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 RXFP1 911/4885HSD17B10 4597/4885UBE2M 4268/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 RXFP1 892/4885HSD17B10 4551/4885UBE2M 4188/4885

“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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