SCHEMBL14711124

SCHEMBL14711124

COC(=O)Cc1ccc(C2CCN(C(=O)[C@@H](C)NC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.64
PREP P48147 2/20 0.52
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
TGM1 P22735 1/20 0.51
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 1/20 0.47
CAPN1 P07384 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL14711221 1.00 CCR1 (0.64) CCR1PREPF13A1TGM2TGM1
SCHEMBL14710994 0.89 CCR1 (0.59) CCR1F13A1TGM2TGM1CTSK
SCHEMBL14711222 0.89 CCR1 (0.59) CCR1F13A1TGM2TGM1CTSK
SCHEMBL14711037 0.89 CCR1 (0.59) CCR1F13A1TGM2TGM1CTSK
SCHEMBL6747802 0.84 HTT (0.61) CCR1
SCHEMBL14710936 0.82 CCR1 (0.51) CCR1PREPF13A1TGM2TGM1
SCHEMBL8206098 0.81 PREP (0.61) CCR1PREPCTSKCTSLCTSB
SCHEMBL11254461 0.81 PREP (0.61) CCR1PREPCTSKCTSLCTSB
SCHEMBL8206101 0.81 PREP (0.61) CCR1PREPCTSKCTSLCTSB
SCHEMBL11261467 0.81 PREP (0.61) CCR1PREPCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CCR1 1107/4885PREP 1139/4885F13A1 1558/4885

“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.