SCHEMBL16211015

SCHEMBL16211015

c1ccc(CCN(Cc2ccccc2)Cc2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
OPRM1 P35372 3/20 0.49

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
SCHEMBL231061 0.83 OPRK1 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL16606314 0.81 CHRNB2 (0.69) CHRNA7CHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL12049809 0.81 OPRK1 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL14047033 0.79 OPRK1 (0.69) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL27928441 0.79 CHRNA7 (0.58) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL7215289 0.79 CHRNB2 (0.56) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5349780 0.78 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL17713995 0.78 KMT2A (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13049987 0.77 OPRK1 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL8700016 0.77 CYP1A2 (0.66) CHRNA7CYP1A2CYP2D6LTA4HL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 US disclosed
EP-2704578-B1 USE OF HONEYBEE REPELLENTS INSCENT INC (US) 2016-08-31 EP disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 US disclosed
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 WO disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 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 (2 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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 CHRNA7 578/4885HDAC3 441/4885HDAC4 1245/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 CHRNA7 578/4885HDAC3 441/4885HDAC4 1245/4885

“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.