SCHEMBL15544932

SCHEMBL15544932

COc1cc(F)c(CO)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TRAP1 Q12931 2/20 0.36
HSP90B1 P14625 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CPS1 P31327 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL211976 0.86 ALDH1A1 (0.43) TAAR1ALDH1A1KDM4EKMT2ACYP1A1
SCHEMBL3776543 0.86 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL16693753 0.83 TAAR1 (0.53) TAAR1HCRTR1HCRTR2TRAP1HSP90B1
SCHEMBL4678875 0.82 NQO1 (0.34) TAAR1MAPTCPS1KDM4E
SCHEMBL4677635 0.82 KDR (0.37) TAAR1HTTKDM4ELMNACYP1A2
SCHEMBL4682530 0.80 SLC6A4 (0.39) TAAR1HTTKDM4ELMNACYP1A2
SCHEMBL4678195 0.80 HTT (0.36) ALDH1A1MAPTHTTKMT2ACYP1A2
SCHEMBL21082219 0.79 TAAR1 (0.49) TAAR1HCRTR1HCRTR2TRAP1HSP90B1
SCHEMBL4677644 0.78 HTT (0.44) HTTRAB9AKDM4E
SCHEMBL14992582 0.77 TAAR1 (0.47) TAAR1HCRTR1HCRTR2TRAP1HSP90B1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2018-12-27 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
EP-2870144-B1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2017-04-19 EP disclosed
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2016-07-28 US disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
EP-2870144-A1 OREXIN RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2015-05-13 EP disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US disclosed
WO-2014006402-A1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2014-01-09 WO disclosed
WO-2014006402-A1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2014-01-09 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 (5 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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TAAR1 78/4885HCRTR1 2/4885HCRTR2 1/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R TAAR1 78/4885HCRTR1 2/4885HCRTR2 1/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TAAR1 78/4885HCRTR1 2/4885HCRTR2 1/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TAAR1 78/4885HCRTR1 2/4885HCRTR2 1/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TAAR1 78/4885HCRTR1 2/4885HCRTR2 1/4885

“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.