SCHEMBL506977

SCHEMBL506977

NCC(F)(F)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KCNN4 O15554 1/20 0.43
KIF11 P52732 8/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
PTPN1 P18031 1/20 0.39
DAO P14920 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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 SCHEMBL9280100 0.97 TAAR1 (0.50) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL19566546 0.86 KIF11 (0.58) TAAR1TSHRALDH1A1KIF11PTPN1
SCHEMBL6986532 0.82 MAPT (0.44) TAAR1KCNN4KIF11CA1CA2
SCHEMBL10159499 0.80 KIF11 (0.50) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL10749002 0.79 TAAR1 (0.52) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL3676582 0.79 TAAR1 (0.52) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL3746053 0.77 LOXL2 (0.44) TAAR1KCNN4KIF11LOXL2
SCHEMBL8233131 0.77 TAAR1 (0.55) TAAR1TSHRALDH1A1KIF11
SCHEMBL1706355 0.76 TSHR (0.52) TAAR1TSHRALDH1A1KCNN4KIF11
SCHEMBL24253164 0.75 ESR1 (0.50) TAAR1TSHRALDH1A1KIF11CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS ARIVA MED GMBH (AT) 2023-06-08 US claimed
EP-4135683-A1 THERAPEUTIC USE OF PLEUROMUTILINS Nabriva Therapeutics GMBH (AT) 2023-02-22 EP claimed
CN-115413238-A Therapeutic use of pleuromutilin compounds 纳布里瓦治疗有限责任公司 2022-11-29 CN claimed
WO-2021209596-A1 THERAPEUTIC USE OF PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-10-21 WO claimed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP claimed
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN claimed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US claimed
EP-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP claimed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US claimed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
EP-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 TAAR1 2591/4885TSHR 697/4885ALDH1A1 2432/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC TAAR1 1333/4885TSHR 2178/4885ALDH1A1 543/4885
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS MLN, PLEC, PELP1 TAAR1 1278/4885TSHR 2394/4885ALDH1A1 281/4885

“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.