SCHEMBL1106020

SCHEMBL1106020

C[C@@H](NCC1CCN(c2cc(C(F)(F)F)c(C(=O)O)cn2)CC1c1ccccc1)c1csc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.38
HTR1A P08908 1/20 0.35
ITGB2 P05107 10/20 0.34
ICAM1 P05362 10/20 0.34
ITGAL P20701 10/20 0.34
HTR7 P34969 2/20 0.34
HSD17B2 P37059 1/20 0.34
CCR5 P51681 2/20 0.33
RBP4 P02753 2/20 0.33
TTR P02766 2/20 0.33
CLK2 P49760 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL1095426 0.88 CASR (0.43)
SCHEMBL1105877 0.85 HRH3 (0.39) HMOX1HSD17B2
SCHEMBL1096953 0.83 CASR (0.42) CCR5
SCHEMBL1105957 0.80 CASR (0.44)
SCHEMBL1105799 0.79 HSD17B2 (0.37) HTR1AHTR7HSD17B2CCR5
SCHEMBL1105813 0.79 CXCR3 (0.38) HSD17B2
SCHEMBL1105819 0.79 CASR (0.47) HTR1AHTR7HSD17B2
SCHEMBL1105776 0.78 CASR (0.45) HTR1AHTR7HSD17B2
SCHEMBL1105800 0.78 CASR (0.38) HTR1AHSD17B2RBP4TTR
SCHEMBL1105787 0.78 KDM1A (0.41) HTR7HSD17B2CCR5

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 HMOX1 3921/4885HTR1A 1308/4885ITGB2 4334/4885

“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.