SCHEMBL17570337

SCHEMBL17570337

CC(C)N(C)Cc1ccc(Oc2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.48
▸ OPRM1 P35372 5/20 0.45
▸ OPRD1 P41143 5/20 0.45
▸ OPRK1 P41145 3/20 0.45
▸ P2RX3 P56373 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ GRM2 Q14416 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ SRD5A2 P31213 2/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ ACACB O00763 4/20 0.42
▸ ACACA Q13085 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ PTGES O14684 1/20 0.41

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
SCHEMBL16128019 0.87 TAS2R14 (0.49) TAS2R14OPRM1OPRD1OPRK1P2RX3
SCHEMBL8017433 0.79 OPRM1 (0.52) OPRM1OPRD1OPRK1LOXL2RXRA
SCHEMBL21656511 0.75 MAPT (0.60) OPRM1OPRD1OPRK1P2RX3RXRA
SCHEMBL17570342 0.73 KMT2A (0.47) RXRASRD5A2
SCHEMBL21525575 0.73 CA1 (0.59) OPRM1OPRD1OPRK1LOXL2RXRA
SCHEMBL21628768 0.73 GRM2 (0.62) OPRM1OPRD1OPRK1P2RX3GRM2
SCHEMBL4255729 0.72 RXRA (0.54) OPRM1OPRD1OPRK1P2RX3RXRA
SCHEMBL26117041 0.72 LOXL2 (0.60) OPRM1OPRD1OPRK1P2RX3LOXL2
SCHEMBL30629781 0.72 LOXL2 (0.60) OPRM1OPRD1OPRK1P2RX3LOXL2
SCHEMBL21525644 0.71 CA1 (0.48) OPRM1OPRD1OPRK1LOXL2GRM2

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-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — US disclosed
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 — — US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 — — US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — 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-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R TAS2R14 4359/4885OPRM1 3838/4885OPRD1 3054/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R TAS2R14 4359/4885OPRM1 3838/4885OPRD1 3054/4885

“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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