SCHEMBL2547950

SCHEMBL2547950

CCCCCc1cc(C(C)C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ CYP19A1 P11511 3/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL18799858 0.95 LMNA (0.40) KCNH2LMNAKDM4ECYP3A4TSHR
SCHEMBL28870870 0.88 KCNH2 (0.41) KCNH2LMNAKDM4ECYP3A4TSHR
SCHEMBL13533992 0.87 KDM4E (0.50) LMNAKDM4ECYP3A4TSHRL3MBTL1
SCHEMBL27345654 0.82 KCNH2 (0.42) KCNH2LMNAKDM4ECYP3A4TSHR
SCHEMBL11994370 0.80 CYP1A2 (0.46) LMNAKDM4ECYP3A4TSHRSREBF2
SCHEMBL6638892 0.79 KDM4E (0.38) LMNAKDM4ECYP3A4TSHRCYP1A2
SCHEMBL20280911 0.79 HRH1 (0.46) LMNAKDM4ECYP3A4TSHRTDP1
SCHEMBL12394763 0.79 HRH4 (0.40) LMNAKDM4ECYP3A4TSHRLNPEP
SCHEMBL1328611 0.78 LNPEP (0.48) KCNH2LMNAKDM4ECYP3A4TSHR
SCHEMBL2553622 0.77 CYP3A4 (0.46) KCNH2LMNAKDM4ECYP3A4TSHR

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
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 — — US disclosed
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
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 KCNH2 184/4885LMNA 3310/4885KDM4E 2458/4885

“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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