SCHEMBL4984077

SCHEMBL4984077

CN1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX2 P34913 12/20 0.55
EPHX1 P07099 2/20 0.55
HTR2C P28335 2/20 0.53
HRH3 Q9Y5N1 2/20 0.52
MCHR1 Q99705 1/20 0.52
SLC6A5 Q9Y345 1/20 0.51
SSTR1 P30872 1/20 0.51
SSTR4 P31391 1/20 0.51
CXCR3 P49682 1/20 0.49

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
SCHEMBL14263119 0.92 RAB9A (0.54) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL4982704 0.87 CARM1 (0.55) EPHX2EPHX1MCHR1SSTR1SSTR4
SCHEMBL4980231 0.85 RAB9A (0.74) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL4979582 0.84 SLC6A5 (0.59) RAB9ASMN1; SMN2EPHX2EPHX1MCHR1
SCHEMBL4982545 0.83 MCHR1 (0.66) NPC1RAB9ASMN1; SMN2EPHX1HRH3
SCHEMBL4975779 0.82 DRD4 (0.59) NPC1RAB9ASMN1; SMN2EPHX2EPHX1
SCHEMBL15335336 0.82 EPHX2 (0.78) EPHX2EPHX1
SCHEMBL4978994 0.81 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2EPHX1HRH3
SCHEMBL3653016 0.81 HTR2A (0.62) NPC1RAB9ASMN1; SMN2EPHX1HTR2C
SCHEMBL4981939 0.80 EPHX1 (0.71) NPC1RAB9ASMN1; SMN2EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 NPC1 4132/4885RAB9A 1386/4885SMN1; SMN2 4046/4885

“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.