SCHEMBL3387388

SCHEMBL3387388

CC(C)(C)C1CC(O)(c2ccc(F)cc2F)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.40
AKR1B1 P15121 2/20 0.37
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
CNR1 P21554 3/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DRD2 P14416 5/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
RORC P51449 3/20 0.34
GRIN2B Q13224 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL3772170 0.81 OPRL1 (0.38) MC4RDRD2GRIN2BOPRM1OPRK1
SCHEMBL17350664 0.81 HSD11B1 (0.35) OPRM1OPRK1
SCHEMBL3384864 0.77 CNR1 (0.46) MC4RCNR1HCAR3HCAR2DRD2
SCHEMBL4152521 0.77 HDAC4 (0.39) GRIN2BOPRM1OPRK1OPRL1
SCHEMBL3386011 0.76 KCNN4 (0.39) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL18689716 0.76 DRD2 (0.44) DRD2GRIN2BOPRM1OPRK1OPRL1
SCHEMBL3765943 0.74 DRD2 (0.45) AKR1B1DRD2DRD4DRD3
SCHEMBL2354264 0.74 OPRM1 (0.39) AKR1B1PSEN1PSEN2APH1BNCSTN
SCHEMBL5122013 0.73 CNR2 (0.35) MC4RRORC
SCHEMBL3477807 0.73 MAPT (0.43) DRD2

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 2 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

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 MC4R 218/4885AKR1B1 1789/4885MC5R 82/4885

“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.