Sugi Predict

Sugi Predict / Compounds / SCHEMBL6044056

SCHEMBL6044056

SCHEMBL6044056

O=C(O)c1cn(-c2ccccn2)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.49
▸ HTR7 P34969 2/20 0.47
▸ SLC22A12 Q96S37 1/20 0.46
▸ EGLN1 Q9GZT9 2/20 0.46
▸ ALKBH2 Q6NS38 1/20 0.46
▸ NR4A2 P43354 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RORC P51449 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM6B O15054 1/20 0.42
▸ KDM6A O15550 1/20 0.42
▸ TET3 O43151 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ KDM4B O94953 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM4D Q6B0I6 1/20 0.42
▸ TET2 Q6N021 1/20 0.42
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ TET1 Q8NFU7 1/20 0.42

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
SCHEMBL15444633 0.88 HTR3A (0.56) HTR3AHTR7NR4A2POLB
SCHEMBL28572426 0.85 SLC22A12 (0.68) HTR3AKDM4ESLC22A12L3MBTL1
SCHEMBL3678410 0.84 HTR3A (0.51) HTR3AKDM4ESLC22A12EGLN1NR4A2
SCHEMBL15557435 0.84 HTR3A (0.56) HTR3AKDM4ENR4A2RORCAKR1C3
SCHEMBL28603774 0.84 PTGDR2 (0.48) HTR3AKDM4ESLC22A12NR4A2RORC
SCHEMBL4060213 0.84 HTR3A (0.54) HTR3AKDM4EEGLN1ALKBH2RORC
SCHEMBL15420930 0.83 NR4A2 (0.64) HTR3AKDM4ENR4A2POLBTSHR
SCHEMBL20080348 0.83 KMT2A (0.52) HTR3AHTR7POLBTSHRL3MBTL1
SCHEMBL15440779 0.83 HTR3A (0.54) HTR3AHTR7NR4A2POLBTSHR
SCHEMBL15557097 0.82 HTR3A (0.54) HTR3AKDM4ENR4A2RORCAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 — — EP claimed
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 — — EP disclosed
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 — — EP disclosed
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 — — US disclosed
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 — — US disclosed
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2018-11-15 — — US disclosed
US-10125145-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-13 — — US disclosed
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 — — EP disclosed
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 — — EP disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 — — US disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 — — US disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 — — WO disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 — — WO disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 — — US disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 — — US disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 — — US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 — — US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 — — WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 — — US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 — — EP 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 (6 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885KDM4E 4085/4885HTR7 20/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885KDM4E 4085/4885HTR7 20/4885
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 HTR3A 1672/4885KDM4E 1951/4885HTR7 2098/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885KDM4E 4085/4885HTR7 20/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885KDM4E 4085/4885HTR7 20/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885KDM4E 4085/4885HTR7 20/4885

“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.