SCHEMBL1360673

SCHEMBL1360673

CCCC(=O)OCc1cc(C#N)ccc1CCCC(OC(=O)c1ccccc1)(c1ccc(F)cc1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
CXCR2 P25025 7/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL1361412 0.83 CXCR2 (0.34) CXCR2CYP2C9
SCHEMBL5718374 0.78 CXCR2 (0.34) CXCR2CYP2C9
Benzoic Acid SCHEMBL1360672 0.77 MRGPRX4 (0.33) KDM4C
SCHEMBL1361410 0.74 NSD2 (0.31) CXCR2CYP2C9
SCHEMBL1363413 0.71 SLC6A4 (0.36) CYP2C9
SCHEMBL1363412 0.71 SLC6A4 (0.36) CYP2C9
SCHEMBL1360618 0.68 BCL2 (0.41) KMT2A
SCHEMBL5430929 0.65 SLC6A4 (0.37) CYP2C9
SCHEMBL1561187 0.65 NR3C1 (0.34) CXCR2CYP2C9
SCHEMBL5718466 0.65 NR3C1 (0.34) CXCR2CYP2C9

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-8067640-B2 Method for the separation of intermediates which may be used for the preparation of escitalopram H. LUNDBECK A/S (DK) 2011-11-29 US disclosed
US-20110065937-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2011-03-17 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-20110065937-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM MAOB, HSD17B14, MAOA KMT2A 1030/4885MAPT 2356/4885CXCR2 3901/4885

“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.