SCHEMBL2553622

SCHEMBL2553622

CCCCCc1cc(CCC)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KCNH2 Q12809 1/20 0.46
LNPEP Q9UIQ6 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
PTGS2 P35354 1/20 0.38
PDPK1 O15530 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
IDO1 P14902 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL2555694 0.98 KCNH2 (0.48) CYP3A4KDM4ELMNATSHRKCNH2
SCHEMBL1328611 0.94 LNPEP (0.48) CYP3A4KDM4ELMNATSHRKCNH2
SCHEMBL2554060 0.94 KDM4E (0.47) CYP3A4KDM4ELMNATSHRKCNH2
SCHEMBL29058198 0.92 KCNH2 (0.50) CYP3A4KDM4ELMNAKCNH2LNPEP
SCHEMBL28244414 0.92 KCNH2 (0.50) CYP3A4KDM4ELMNAKCNH2LNPEP
SCHEMBL16544526 0.92 CYP3A4 (0.50) CYP3A4KDM4ELMNATSHRKCNH2
SCHEMBL27345656 0.92 KCNH2 (0.50) CYP3A4KDM4ELMNAKCNH2LNPEP
SCHEMBL2550616 0.89 NOS3 (0.50) CYP3A4KDM4ELMNATSHRKCNH2
SCHEMBL31280277 0.89 NOS3 (0.50) CYP3A4KDM4ELMNATSHRKCNH2
SCHEMBL6560564 0.88 KDM4E (0.44) CYP3A4KDM4ELMNATSHRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390544-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2024-11-28 US claimed
EP-3648763-B1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH & CIE (CH) 2022-11-30 EP claimed
US-20210145998-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2021-05-20 US claimed
EP-3648763-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-05-13 EP claimed
WO-2019008089-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-01-10 WO claimed
CN-102802600-B As 2,4-disubstituted pyridines of perfuming component FIRMENICH S.A. (CH) 2016-04-13 CN claimed
US-8652452-B2 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH SA (CH) 2014-02-18 US claimed
EP-2552395-B1 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE (CH) 2013-11-13 EP claimed
EP-2552395-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2013-02-06 EP claimed
US-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2013-01-03 US claimed
WO-2011121469-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-10-06 WO claimed
US-20240390544-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2024-11-28 US disclosed
US-12048783-B2 2,4-disubstituted pyridines as malodor counteracting ingredients FIRMENICH SA (CH) 2024-07-30 US disclosed
EP-3648763-B1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH & CIE (CH) 2022-11-30 EP disclosed
US-20210145998-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2021-05-20 US disclosed
US-8652452-B2 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH SA (CH) 2014-02-18 US disclosed
EP-2552395-B1 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE (CH) 2013-11-13 EP disclosed
EP-2552395-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2013-02-06 EP disclosed
US-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2013-01-03 US disclosed
WO-2011121469-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-10-06 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-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS P2RX5, P2RX4, C5 CYP3A4 185/4885KDM4E 2458/4885LMNA 3310/4885
US-20210145998-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS TAS2R4, P2RY4, QDPR CYP3A4 86/4885KDM4E 947/4885LMNA 4822/4885
US-12048783-B2 2,4-disubstituted pyridines as malodor counteracting ingredients TAS2R4, P2RY4, QDPR CYP3A4 86/4885KDM4E 947/4885LMNA 4822/4885
US-20240390544-A1 2,4-DISUBSTITUTED PYRIDINES AS MALODOR COUNTERACTING INGREDIENTS TAS2R4, LPO, PRDX4 CYP3A4 145/4885KDM4E 1768/4885LMNA 4627/4885

“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.