SCHEMBL14606707

SCHEMBL14606707

Cc1ccc(CNCC2CCC(CN)CC2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PRKCQ Q04759 2/20 0.39
▸ CXCR4 P61073 9/20 0.38
▸ ESRRA P11474 1/20 0.37
▸ EBP Q15125 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL11583939 0.79 CYP2D6 (0.61) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL20313358 0.79 CA12 (0.44) MAPTSMN1; SMN2TRPA1NPC1RAB9A
SCHEMBL23607588 0.79 MEN1 (0.47) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL20625943 0.77 CXCR4 (0.53) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL5013644 0.75 MEN1 (0.47) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL20313355 0.74 CA12 (0.47) KMT2AMEN1TP53CYP3A4MAPT
SCHEMBL16663613 0.72 HDAC6 (0.59) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL22919775 0.72 HDAC6 (0.59) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL12049796 0.72 ESRRA (0.50) KMT2AMEN1TP53CYP3A4CYP2D6
SCHEMBL20625942 0.71 HDAC6 (0.49) KMT2AMEN1TP53CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R KMT2A 633/4885MEN1 577/4885TP53 4774/4885

“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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