SCHEMBL4168737

SCHEMBL4168737

CC(C)c1cccc(C2(N)CCN(C(=O)OCc3ccccc3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RORC P51449 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL4164137 0.94 NOS2 (0.49) NOS2OPRD1OPRK1PLAUPLAT
SCHEMBL4174478 0.92 PLAU (0.45) NOS2OPRD1OPRK1PLAUPLAT
SCHEMBL8240266 0.87 NOS2 (0.52) NOS2OPRD1OPRK1PLAUPLAT
SCHEMBL4159590 0.84 NOS2 (0.58) NOS2OPRD1OPRK1PLAUPLAT
SCHEMBL13907434 0.81 NOS2 (0.42) NOS2OPRD1OPRK1PLAUPLAT
SCHEMBL29087294 0.80 OPRK1 (0.47) OPRD1OPRK1SMN1; SMN2CYP2C19MEN1
SCHEMBL29087343 0.80 RORC (0.50) OPRD1OPRK1SMN1; SMN2CYP2C19MEN1
Hydrochloric Acid SCHEMBL30702535 0.79 RORC (0.49) OPRD1OPRK1SMN1; SMN2CYP2C19MEN1
SCHEMBL3024328 0.79 SMN1; SMN2 (0.50) OPRD1OPRK1SMN1; SMN2CYP2C19MEN1
Hydrochloric Acid SCHEMBL29087316 0.79 RORC (0.49) OPRD1OPRK1SMN1; SMN2CYP2C19MEN1

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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
EP-1957448-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS Pfizer Products Inc. (US) 2008-08-20 EP disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 WO disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 NOS2 4706/4885OPRD1 1338/4885OPRK1 606/4885

“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.