SCHEMBL1744454

SCHEMBL1744454

CC(C)(C)[Si](C)(C)OCCCCCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.39
DUT P33316 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GAA P10253 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
SCHEMBL21068528 0.98 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL29750115 0.94 TSHR (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1743564 0.92 MEN1 (0.39) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7539972 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1143253 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25304378 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10930589 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8622940 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT
SCHEMBL200311 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT
SCHEMBL31399502 0.86 DUT (0.37) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 US disclosed
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 EP disclosed
US-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-09-15 US disclosed
US-9315463-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2016-04-19 US disclosed
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-10-24 US disclosed
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 WO disclosed
EP-2386555-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities Almirall, S.A. (ES) 2011-11-16 EP disclosed
US-20110254356-A1 Wheel Bearing Apparatus Incorporated With A Wheel Speed Detecting Apparatus NTN CORPORATION (JP) 2011-10-20 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 (3 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-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 MEN1 3481/4885KMT2A 981/4885THRB 64/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 MEN1 3897/4885KMT2A 1097/4885THRB 59/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 MEN1 3954/4885KMT2A 1188/4885THRB 55/4885

“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.