SCHEMBL1105807

SCHEMBL1105807

O=C(N1CC[C@H](CO)[C@@H](c2ccccc2F)C1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
KDM1A O60341 1/20 0.40
RBP4 P02753 2/20 0.39
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 2/20 0.36
EPHX2 P34913 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CCR5 P51681 1/20 0.36
RIPK1 Q13546 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL1105721 0.90 BRD4 (0.41) BRD4KDM1ARBP4DPP4DPP7
SCHEMBL1105747 0.84 KDM1A (0.54) KDM1ACCR5RIPK1
SCHEMBL1094966 0.84 KDM1A (0.54) KDM1ACCR5RIPK1
SCHEMBL1105763 0.79 RIPK1 (0.42) KDM1AHTR2CHTR2BCCR5RIPK1
SCHEMBL1095658 0.79 RIPK1 (0.42) KDM1AHTR2CHTR2BCCR5RIPK1
SCHEMBL4096397 0.77 HTR2C (0.41) BRD4KDM1AHTR2CHTR2BCCR5
SCHEMBL1095901 0.76 KDM1A (0.54) KDM1ARBP4CCR5RIPK1
SCHEMBL1105770 0.76 CASR (0.42) CYP2C9
SCHEMBL14498549 0.72 PDE4B (0.49) BRD4
SCHEMBL14495534 0.72 PDE4B (0.49) BRD4

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 BRD4 1297/4885KDM1A 2816/4885RBP4 4166/4885

“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.