SCHEMBL13310550

SCHEMBL13310550

CC(C)(C)c1ccccc1CNC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PABPC1 P11940 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13310553 0.98 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13310554 0.97 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17549761 0.93 KMT2A (0.46) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL531088 0.79 KDM4E (0.51) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13347703 0.79 KMT2A (0.51) HTTLMNAKMT2APABPC1KDM4E
Hydrochloric Acid SCHEMBL11781117 0.77 HTT (0.50) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL9346814 0.77 KDM4E (0.53) CYP2D6CYP1A2CYP2C9CYP2C19HTT
Hydrochloric Acid SCHEMBL11779650 0.76 KDM4E (0.52) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL3619361 0.75 HTT (0.49) CYP2D6CYP1A2CYP2C9CYP2C19HTT
SCHEMBL25094367 0.75 CYP2D6 (0.40) CYP2D6CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 — — US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 — — US 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-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH CYP2D6 675/4885CYP1A2 842/4885CYP2C9 553/4885

“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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