SCHEMBL10278739

SCHEMBL10278739

O=C(N1CCOCC1)N1CC(C2=NC(CSc3ccncc3)CS2)CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.50
AKR1C3 P42330 1/20 0.39
TACR1 P25103 1/20 0.36
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CETP P11597 1/20 0.33
FKBP1A P62942 1/20 0.33
MAP3K12 Q12852 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
SCHEMBL10278685 0.86 F2R (0.55) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL10279026 0.86 F2R (0.55) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL10279059 0.84 F2R (0.53) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL642858 0.78 F2R (0.48) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL10278661 0.76 F2R (0.52) F2RAKR1C3TACR1USP2PKM
SCHEMBL3729689 0.76 F2R (0.62) F2RAKR1C3TACR1USP2FKBP1A
SCHEMBL10278947 0.76 F2R (0.55) F2RAKR1C3CNR1TMEM97FKBP1A
SCHEMBL9888818 0.73 F2R (0.55) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL9888673 0.71 F2R (0.63) F2RAKR1C3TACR1KMT2AUSP2
SCHEMBL3723936 0.71 F2R (0.63) F2RAKR1C3TACR1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885AKR1C3 1732/4885TACR1 1493/4885

“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.