SCHEMBL14756998

SCHEMBL14756998

CN(C)C1CCCN(c2ccc3c(c2)CCCc2c-3[nH]c(=O)c(C(=O)O)c2O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
MCHR1 Q99705 5/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
AVPR1B P47901 1/20 0.31
APLNR P35414 1/20 0.31
PPARA Q07869 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
Hydrochloric Acid SCHEMBL14745473 0.99 KCNH2 (0.36) KCNH2FPR1FPR2CTSKCTSC
SCHEMBL14757183 0.96 KCNH2 (0.40) KCNH2FPR1FPR2PDGFRBFGFR1
Hydrochloric Acid SCHEMBL14745434 0.96 KCNH2 (0.39) KCNH2FPR1FPR2PDGFRBFGFR1
SCHEMBL14757088 0.91 SETD2 (0.34) KCNH2PDE3BPDE3A
Hydrochloric Acid SCHEMBL14745868 0.90 SETD2 (0.34) KCNH2PDE3BPDE3A
Hydrochloric Acid SCHEMBL17593324 0.90 KCNH2 (0.36) KCNH2FPR1FPR2PDGFRBFGFR1
Hydrochloric Acid SCHEMBL18628193 0.86 KCNH2 (0.34) KCNH2FPR1FPR2CTSKCTSC
SCHEMBL17495070 0.86 KCNH2 (0.38) KCNH2PDGFRBFGFR1KDRMCHR1
SCHEMBL14745291 0.85 IP6K1 (0.37) KDM4EALDH1A1PDE3BPDE3A
SCHEMBL14757038 0.84 HRH4 (0.38) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
WO-2016039938-A1 POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP KCNH2 3306/4885FPR1 440/4885FPR2 769/4885

“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.