SCHEMBL739199

SCHEMBL739199

COc1ccc(N2CCC3(CC2)CN(C)C(=O)CO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR1A P08908 2/20 0.46
LMNA P02545 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
DRD2 P14416 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL735677 0.84 SIGMAR1 (0.52) SIGMAR1LMNAMAPTHTR7ALDH1A1
SCHEMBL735769 0.84 HTR1A (0.46) SIGMAR1HTR1ALMNAHTR3EHTR3B
SCHEMBL737490 0.83 SIGMAR1 (0.58) SIGMAR1KMT2AMAPTALDH1A1
SCHEMBL737605 0.82 SIGMAR1 (0.46) SIGMAR1HTR1AHTR3EHTR3BADRB1
SCHEMBL738666 0.82 SIGMAR1 (0.59) SIGMAR1LMNAMAPTL3MBTL1RAB9A
SCHEMBL738087 0.80 HRH3 (0.58) SIGMAR1MAPTALDH1A1POLBKDM4E
SCHEMBL738280 0.79 ALDH1A1 (0.45) SIGMAR1HTR1ALMNAMEN1KMT2A
SCHEMBL738272 0.78 SIGMAR1 (0.44) SIGMAR1LMNAMEN1KMT2AMAPT
SCHEMBL737958 0.77 HRH3 (0.51) SIGMAR1HTR1ADRD2MAPTHTR7
SCHEMBL738812 0.77 HTR3E (0.46) SIGMAR1HTR1ALMNAHTR3EHTR3B

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SIGMAR1 11/4885HTR1A 79/4885LMNA 4494/4885

“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.