SCHEMBL3570514

SCHEMBL3570514

O=C(O)NCC1CCN(C(=O)C(F)(F)F)CC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
CCR5 P51681 9/20 0.42
RIPK1 Q13546 1/20 0.42
RORC P51449 4/20 0.41
MAOA P21397 1/20 0.41
TACR1 P25103 3/20 0.39
RBP4 P02753 1/20 0.39

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
SCHEMBL1094966 0.85 KDM1A (0.54) KDM1ACCR5RIPK1RORCMAOA
SCHEMBL1105747 0.85 KDM1A (0.54) KDM1ACCR5RIPK1RORCMAOA
SCHEMBL1096485 0.78 KDM1A (0.39) KDM1ACCR5RIPK1RORCTACR1
SCHEMBL1095901 0.78 KDM1A (0.54) KDM1ACCR5RIPK1RORCMAOA
SCHEMBL1095794 0.77 CASR (0.45) KDM1A
SCHEMBL27727620 0.77 CCR5 (0.39) CCR5
SCHEMBL4105850 0.76 KDM1A (0.48) KDM1ACCR5RORC
SCHEMBL4094920 0.76 KDM1A (0.48) KDM1ACCR5RORC
SCHEMBL4108855 0.76 KDM1A (0.48) KDM1ACCR5RORC
SCHEMBL1096486 0.75 CCR5 (0.38) KDM1ACCR5RORCTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM1A 2816/4885CCR5 542/4885RIPK1 2346/4885

“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.