SCHEMBL16114745

SCHEMBL16114745

COc1cc(I)c(OC(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.37
▸ P2RX2 Q9UBL9 6/20 0.37
▸ PDE10A Q9Y233 1/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ NNMT P40261 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PMP22 Q01453 2/20 0.33
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33

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
SCHEMBL16115400 0.84 KDM4E (0.37) P2RX3P2RX2NNMTCYP1A2TSHR
SCHEMBL20845912 0.80 NNMT (0.45) P2RX3P2RX2PDE10ATRPM8NNMT
SCHEMBL16115684 0.76 MEN1 (0.37) P2RX3P2RX2NNMT
SCHEMBL30756299 0.76 KCNQ3 (0.40) P2RX3P2RX2
SCHEMBL17541475 0.75 TUBB4A (0.34) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL22123756 0.73 NNMT (0.38) P2RX3P2RX2NNMTGABRPGABRD
SCHEMBL25339663 0.71 NNMT (0.47) P2RX3P2RX2NNMT
SCHEMBL17629741 0.71 TUBB4A (0.32) P2RX3P2RX2PDE10ANNMT
SCHEMBL16116125 0.71 MAPT (0.40) P2RX3P2RX2CYP1A2TSHRNPSR1
SCHEMBL14990136 0.71 NNMT (0.46) NNMTCYP1A2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 — — EP disclosed
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 — — EP disclosed
US-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-22 — — US disclosed
US-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-22 — — US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 — — US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 — — US disclosed
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-03-29 — — US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 — — US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 — — US disclosed
US-9822102-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-21 — — US disclosed
US-20160368903-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — US disclosed
US-20160368903-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — US disclosed
US-20160368903-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — US disclosed
US-9434690-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-06 — — US disclosed
US-9434690-B2 Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-06 — — US disclosed
US-20160052884-A1 Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 — — US disclosed
EP-2978756-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-02-03 — — EP disclosed
WO-2014154794-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 — — WO disclosed
WO-2014154794-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 — — 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 (4 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-10183932-B2 Substituted oxopyridine derivatives and use thereof cardiovascular disorders OGFOD1, VASP, PNPO P2RX3 443/4885P2RX2 557/4885PDE10A 958/4885
US-20160052884-A1 Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders OGFOD1, PNPO, VASP P2RX3 501/4885P2RX2 587/4885PDE10A 939/4885
US-20180086742-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP P2RX3 501/4885P2RX2 587/4885PDE10A 939/4885
US-20160368903-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS OGFOD1, PNPO, VASP P2RX3 501/4885P2RX2 587/4885PDE10A 939/4885

“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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