SCHEMBL8773410

SCHEMBL8773410

CCCc1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.47
SLC6A4 P31645 10/20 0.47
CYP2D6 P10635 1/20 0.47
MAOB P27338 8/20 0.45
MAOA P21397 1/20 0.44
GRM5 P41594 3/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL11949161 0.91 HTR1A (0.45) HTR1ASLC6A4CYP2D6MAOBGRM5
SCHEMBL86224 0.91 MAOB (0.45) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL8278098 0.87 MAOB (0.47) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL27872270 0.85 MAOB (0.55) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL6114486 0.84 HTR1A (0.49) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL1346998 0.84 HTR1A (0.49) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL1346480 0.84 HTR1A (0.53) HTR1ASLC6A4CYP2D6MAOBGRM5
SCHEMBL3171924 0.83 MAOB (0.44) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL17049537 0.81 MAOB (0.50) HTR1ASLC6A4CYP2D6MAOBMAOA
SCHEMBL1346069 0.81 MAOB (0.47) HTR1ASLC6A4CYP2D6MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 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 (4 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B HTR1A 2/4885SLC6A4 23/4885CYP2D6 620/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 HTR1A 39/4885SLC6A4 286/4885CYP2D6 55/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 HTR1A 39/4885SLC6A4 286/4885CYP2D6 55/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 HTR1A 39/4885SLC6A4 286/4885CYP2D6 55/4885

“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.