SCHEMBL1105800

SCHEMBL1105800

C[C@@H](NCC1CCN(c2ccc(C(=O)O)cc2F)CC1c1ccccc1)c1csc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.38
HTR1A P08908 1/20 0.37
HSD17B2 P37059 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY2R P49146 1/20 0.35
MTTP P55157 1/20 0.35
ACACB O00763 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL1105799 0.91 HSD17B2 (0.37) CASRHTR1AHSD17B2MAPT
SCHEMBL1105875 0.87 CASR (0.51) CASR
SCHEMBL1105819 0.87 CASR (0.47) CASRHTR1AHSD17B2
SCHEMBL1105776 0.87 CASR (0.45) CASRHTR1AHSD17B2GAAHPGD
SCHEMBL1105877 0.84 HRH3 (0.39) CASRHSD17B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL1105813 0.81 CXCR3 (0.38) HSD17B2ACACB
SCHEMBL1105792 0.80 CCR5 (0.41) CASRHSD17B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL1105788 0.79 PPARG (0.37) CASRHSD17B2GAANPY2RKDM1A
SCHEMBL1105996 0.79 CASR (0.49) CASR
SCHEMBL1105787 0.78 KDM1A (0.41) HSD17B2MAPTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 CASR 1/4885HTR1A 1308/4885HSD17B2 1097/4885

“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.