SCHEMBL2554060

SCHEMBL2554060

CCCCc1cc(CCC)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
IDO1 P14902 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41

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
SCHEMBL2553622 0.94 CYP3A4 (0.46) KDM4ELMNACYP3A4TSHRGABRP
SCHEMBL6560564 0.94 KDM4E (0.44) KDM4ELMNACYP3A4TSHRGABRP
SCHEMBL2555694 0.92 KCNH2 (0.48) KDM4ELMNACYP3A4TSHRLNPEP
SCHEMBL487201 0.90 KDM4E (0.56) KDM4ELMNACYP3A4TSHRNOS2
SCHEMBL2552826 0.88 NOS2 (0.52) KDM4ELMNACYP3A4TSHRGABRP
SCHEMBL1328611 0.88 LNPEP (0.48) KDM4ELMNACYP3A4TSHRLNPEP
SCHEMBL8830073 0.87 LMNA (0.40) KDM4ELMNACYP3A4TSHRGABRP
SCHEMBL16544526 0.86 CYP3A4 (0.50) KDM4ELMNACYP3A4TSHRLNPEP
SCHEMBL29058198 0.86 KCNH2 (0.50) KDM4ELMNACYP3A4LNPEPKCNH2
SCHEMBL27345656 0.86 KCNH2 (0.50) KDM4ELMNACYP3A4LNPEPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102802600-B As 2,4-disubstituted pyridines of perfuming component FIRMENICH S.A. (CH) 2016-04-13 CN 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
CN-102802600-A 2, 4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE 2012-11-28 CN 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 (1 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 KDM4E 2458/4885LMNA 3310/4885CYP3A4 185/4885

“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.