SCHEMBL2325299

SCHEMBL2325299

CC1(C)CC(=NNC(=O)OC(C)(C)C)CC(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.40
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MIF P14174 1/20 0.37
MAPT P10636 4/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL29401847 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AGAARAB9ANPC1
SCHEMBL20583542 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AGAARAB9ANPC1
SCHEMBL28647743 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AGAARAB9ANPC1
SCHEMBL25979693 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AGAARAB9ANPC1
SCHEMBL20533552 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AGAARAB9ANPC1
SCHEMBL272269 0.76 ALDH1A1 (0.63) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL573354 0.76 ALDH1A1 (0.63) ALDH1A1KMT2ARAB9AMIFRECQL
SCHEMBL182243 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AGAARAB9ARECQL
SCHEMBL20583517 0.75 KMT2A (0.54) ALDH1A1KMT2AGAARAB9ANPC1
SCHEMBL12779155 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AGAARAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670216-B2 Cannabinoid-2 agonists ALLERGAN, INC. (US) 2017-06-06 US disclosed
EP-2957560-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID-2 AGONISTS ALLERGAN, INC. (US) 2015-12-23 EP disclosed
US-20150284400-A1 CANNABINOID-2 AGONISTS ALLERGAN, INC. 2015-10-08 US disclosed
EP-2534137-B1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID-2 AGONISTS ALLERGAN INC (US) 2015-09-16 EP disclosed
US-9062004-B2 Cannabinoid-2 agonists ALLERGAN, INC. (US) 2015-06-23 US disclosed
US-20130059848-A1 CANNABINOID-2 AGONISTS ALLERGAN, INC (US) 2013-03-07 US disclosed
EP-2534137-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID - 2 AGONISTS Allergan, Inc. (US) 2012-12-19 EP disclosed
WO-2011097553-A1 PYRIDAZINE DERIVATIVES USEFUL AS CANNABINOID - 2 AGONISTS ALLERGAN, INC. (US) 2011-08-11 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 (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-20150284400-A1 CANNABINOID-2 AGONISTS CNR2, CNR1, GPR18 ALDH1A1 3394/4885KMT2A 1443/4885GAA 3045/4885
US-20130059848-A1 CANNABINOID-2 AGONISTS CNR2, CNR1, GPR18 ALDH1A1 2618/4885KMT2A 1864/4885GAA 3067/4885

“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.