SCHEMBL13098166

SCHEMBL13098166

CCN(CC)Cc1ccc(C#N)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A4 P31645 2/20 0.39
MCHR1 Q99705 2/20 0.39
ICMT O60725 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
CYP19A1 P11511 2/20 0.38
MAOB P27338 1/20 0.38
PYCR1 P32322 1/20 0.38

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
SCHEMBL27001733 0.82 ALDH1A1 (0.41) ARPOLBMCHR1MAOB
SCHEMBL1855982 0.82 AR (0.49) ARSLC6A4TRPV4
SCHEMBL411153 0.80 AR (0.47) ARSLC6A4TRPV4
SCHEMBL28057085 0.78 AR (0.45) ARSLC6A4TRPV4
SCHEMBL27001732 0.77 ABCB1 (0.42) ARPOLB
SCHEMBL3288455 0.77 AR (0.47) ARSLC6A4
SCHEMBL7667004 0.77 AR (0.47) ARSLC6A4TRPV4
SCHEMBL22481567 0.77 AR (0.47) ARSLC6A4TRPV4
SCHEMBL3551458 0.77 AR (0.47) ARSLC6A4TRPV4
SCHEMBL14174964 0.77 ACHE (0.48) POLBPKMALOX15BCHEACHE

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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 AR 1151/4885POLB 2292/4885PKM 2263/4885

“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.