SCHEMBL16463559

SCHEMBL16463559

CNC1(c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.57
OPRL1 P41146 2/20 0.57
SLC6A3 Q01959 4/20 0.45
SLC6A4 P31645 3/20 0.45
PDE2A O00408 3/20 0.45
P2RX7 Q99572 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TP53 P04637 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL27734513 0.83 OPRM1 (0.60) OPRM1OPRL1SLC6A3SLC6A4PDE2A
SCHEMBL14618820 0.81 HDAC6 (0.47) OPRM1OPRL1SLC6A3SLC6A4P2RX7
Hydrochloric Acid SCHEMBL28700235 0.79 HDAC6 (0.46) OPRM1OPRL1SLC6A3SLC6A4P2RX7
SCHEMBL16462485 0.77 SLC6A4 (0.41) OPRM1OPRL1SLC6A3SLC6A4P2RX7
SCHEMBL28631532 0.77 HDAC3 (0.40) OPRM1OPRL1PDE2AP2RX7HDAC6
SCHEMBL16462141 0.77 PDE2A (0.52) OPRM1OPRL1PDE2AP2RX7
SCHEMBL5036687 0.77 OPRM1 (0.58) OPRM1OPRL1HDAC6HDAC3HDAC1
Hydrochloric Acid SCHEMBL28932379 0.75 OPRM1 (0.56) OPRM1OPRL1HDAC6HDAC3HDAC1
SCHEMBL15056152 0.75 OPRM1 (0.56) OPRM1OPRL1SLC6A3SLC6A4
SCHEMBL24397813 0.74 OPRL1 (0.49) OPRM1OPRL1SLC6A3SLC6A4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed
US-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION MINDIMMUNE THERAPEUTICS, INC. 2020-02-20 US disclosed
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy MINDIMMUNE THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2906546-B1 BENZAMIDES H LUNDBECK AS (DK) 2018-01-10 EP disclosed
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy H. LUNDBECK A/S (DK) 2017-07-20 US disclosed
US-9649308-B2 Benzamide-containing compounds and their use in the treatment of pain H. LUNDBECK A/S (DK) 2017-05-16 US disclosed
US-20150283134-A1 Benzamides MINDIMMUNE THERAPEUTICS, INC. 2015-10-08 US disclosed
EP-2906546-A1 BENZAMIDES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
US-9102591-B2 Benzamides H. LUNDBECK A/S (DK) 2015-08-11 US disclosed
WO-2014057078-A1 BENZAMIDES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
US-20140107340-A1 Benzamides H. LUNDBECK A/S (DK) 2014-04-17 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 (5 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-20200054630-A1 BENZAMIDES-CONTAINING COMPOUNDS AND THEIR USE IN THE TREATMENT OF DEPRESSION P2RX5, P2RX7, P2RX2 OPRM1 513/4885OPRL1 158/4885SLC6A3 349/4885
US-20140107340-A1 Benzamides P2RX7, TRPV1, P2RX5 OPRM1 363/4885OPRL1 70/4885SLC6A3 954/4885
US-10238654-B2 Benzamides-containing compounds and their use in the treatment of epilepsy P2RX5, P2RX7, P2RX6 OPRM1 1643/4885OPRL1 832/4885SLC6A3 1126/4885
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy P2RX5, P2RX7, P2RX6 OPRM1 1643/4885OPRL1 832/4885SLC6A3 1126/4885
US-20150283134-A1 Benzamides P2RX7, TRPV1, P2RX5 OPRM1 363/4885OPRL1 70/4885SLC6A3 954/4885

“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.