SCHEMBL3385458

SCHEMBL3385458

CC(C)(C)OC(=O)N1CCC(O)(c2cc(F)cc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 6/20 0.42
STS P08842 3/20 0.42
S1PR2 O95136 1/20 0.42
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39

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
SCHEMBL15804317 0.95 MEN1 (0.45) MEN1KMT2ADRD2STSS1PR2
SCHEMBL2425082 0.93 RORC (0.41) MEN1KMT2ADRD2STSS1PR2
SCHEMBL3387610 0.91 HDAC2 (0.43) HDAC1HDAC2TACR1OPRD1OPRK1
SCHEMBL30005896 0.91 STS (0.49) MEN1KMT2ADRD2STSPOLB
SCHEMBL1331572 0.88 STS (0.39) MEN1KMT2ASTSPOLBHDAC1
SCHEMBL7534118 0.86 HDAC2 (0.43) HDAC1HDAC2TACR1OPRD1OPRK1
SCHEMBL15804316 0.86 MEN1 (0.49) MEN1KMT2ADRD2STSPOLB
SCHEMBL22266048 0.86 HDAC2 (0.41) MEN1KMT2APOLBHDAC1HDAC2
SCHEMBL2424672 0.86 GPR119 (0.42) MEN1KMT2ASTSPOLBHDAC1
SCHEMBL3119720 0.84 STS (0.45) MEN1KMT2ADRD2STSPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
EP-1963268-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Neurosearch Sweden AB (SE) 2008-09-03 EP disclosed
WO-2007065655-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NEUROSEARCH SWEDEN AB (SE) 2007-06-14 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-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT MEN1 1872/4885KMT2A 2389/4885DRD2 27/4885

“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.