SCHEMBL9894726

SCHEMBL9894726

CCOC(=O)NCC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.55
AKR1C3 P42330 1/20 0.43
TACR1 P25103 1/20 0.41
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9894727 0.88 F2R (0.55) F2RAKR1C3TACR1GAAKMT2A
SCHEMBL3794337 0.87 F2R (0.58) F2RAKR1C3TACR1
SCHEMBL9895615 0.86 F2R (0.58) F2RAKR1C3TACR1KMT2A
SCHEMBL9894419 0.84 F2R (0.58) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL3792551 0.84 F2R (0.57) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL9895301 0.83 F2R (0.53) F2RAKR1C3TACR1KMT2A
SCHEMBL3794381 0.83 F2R (0.54) F2RAKR1C3TACR1
SCHEMBL9926858 0.83 F2R (0.56) F2RAKR1C3TACR1KMT2A
SCHEMBL3726472 0.83 F2R (0.58) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL9926850 0.82 F2R (0.59) F2RAKR1C3TACR1KMT2A

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-20120149694-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 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-20120149694-A1 Substituted piperidines VHL, PIR, PIGO F2R 1339/4885AKR1C3 2205/4885TACR1 544/4885

“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.