SCHEMBL2038191

SCHEMBL2038191

COC1(OC)CC(N)(c2ccc(Br)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
KDM1A O60341 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
MEN1 O00255 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 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
SCHEMBL15401384 0.74 TAAR1 (0.39) TAAR1KDM1ARCOR1CYP2A6
SCHEMBL15401382 0.74 TAAR1 (0.39) TAAR1KDM1ARCOR1CYP2A6
SCHEMBL2031283 0.74 LMNA (0.40) MEN1KMT2AALDH1A1MAPK1
SCHEMBL10241861 0.74 CYP2A6 (0.35) TAAR1KDM1ARCOR1MEN1RAD52
SCHEMBL20910748 0.73
SCHEMBL2037798 0.73 OPRM1 (0.35) KMT2AALDH1A1
SCHEMBL991567 0.72 CYP2A6 (0.42) TAAR1KDM1ARCOR1CYP2A6ALDH1A1
SCHEMBL16699326 0.72 KMT2A (0.37) MEN1KMT2AALDH1A1MAPK1
SCHEMBL20703425 0.70 MEN1 (0.37) MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5060581 0.70 KDM1A (0.40) KDM1ARCOR1CYP2A6ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221838-B2 Inhibitors of AKT activity ALMAC DISCOVERY LIMITED (IE) 2015-12-29 US disclosed
EP-2516435-B1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LTD (GB) 2014-08-06 EP disclosed
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2013-05-09 US disclosed
EP-2516435-A1 INHIBITORS OF AKT ACTIVITY Almac Discovery Limited (GB) 2012-10-31 EP disclosed
WO-2011077098-A9 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2012-04-19 WO disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed
WO-2011077098-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2011-06-30 WO 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-20130116243-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 TAAR1 4833/4885KDM1A 3400/4885RCOR1 3206/4885

“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.