SCHEMBL4983338

SCHEMBL4983338

CN1CCC(NC(=O)NCc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
SSTR1 P30872 5/20 0.54
SSTR4 P31391 5/20 0.54
EPHX2 P34913 7/20 0.52
CYP2C9 P11712 5/20 0.52
CYP3A4 P08684 1/20 0.51
P2RX7 Q99572 2/20 0.50
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
NTRK1 P04629 1/20 0.48
DRD4 P21917 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL14263120 0.92 SSTR4 (0.51) SIGMAR1SSTR1SSTR4EPHX2CYP2C9
SCHEMBL4982505 0.83 DRD4 (0.51) SSTR1SSTR4EPHX2P2RX7DRD4
SCHEMBL16269299 0.82 KDM4E (0.55) SIGMAR1SSTR1SSTR4EPHX2CYP2C9
SCHEMBL4982989 0.81 NPC1 (0.57) SIGMAR1SSTR1SSTR4EPHX2P2RX7
SCHEMBL16269121 0.81 P2RX7 (0.53) SIGMAR1EPHX2CYP2C9CYP3A4P2RX7
SCHEMBL4980641 0.80 MCHR1 (0.63) SIGMAR1SSTR1SSTR4CYP3A4POLB
SCHEMBL16269460 0.79 EPHX2 (0.56) EPHX2CYP2C9CYP3A4P2RX7KDM4E
SCHEMBL14263114 0.78 DRD4 (0.73) EPHX2POLBDRD4
SCHEMBL4979582 0.78 SLC6A5 (0.59) EPHX2DRD4
SCHEMBL4981131 0.78 SSTR4 (0.59) SSTR1SSTR4EPHX2TSHRDRD4

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 SIGMAR1 93/4885SSTR1 291/4885SSTR4 654/4885

“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.