SCHEMBL737608

SCHEMBL737608

COc1ccc(N2CCC(O)(CN)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
DRD2 P14416 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL760412 0.82 SLC6A2 (0.46) ADRB1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL737726 0.77 MAPT (0.48) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL28325666 0.76 HTR3E (0.59) HSD17B10HTR3EHTR3BADRB1HTR3A
SCHEMBL6078859 0.76 CYP2C9 (0.53) SLC6A2SLC6A4SLC6A3CYP3A4TSHR
SCHEMBL735976 0.76 HRH3 (0.54)
SCHEMBL28599511 0.75 HTR3E (0.73) HSD17B10HTR3EHTR3BADRB1HTR3A
SCHEMBL29656856 0.75 HTR3E (0.73) HSD17B10HTR3EHTR3BADRB1HTR3A
Ammonia Solution, Strong SCHEMBL18011917 0.75 HTR3E (0.58) HSD17B10HTR3EHTR3BADRB1HTR3A
SCHEMBL738271 0.74 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL737198 0.74 POLB (0.58) HSD17B10HTR3EHTR3BADRB1HTR3A

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 HSD17B10 4306/4885HTR3E 362/4885HTR3B 134/4885

“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.