SCHEMBL5674643

SCHEMBL5674643

C=CC1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TACR1 P25103 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
DNMT3A Q9Y6K1 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 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
SCHEMBL4635556 0.89 KDM1A (0.46) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL4634695 0.85 HDAC2 (0.48) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL5672765 0.83 KDM1A (0.48) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL14357682 0.83 KDM1A (0.48) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL4634666 0.82 HDAC2 (0.48) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL4634716 0.81 HSD11B1 (0.41) KMT2A
SCHEMBL4634595 0.81 KDM1A (0.46) KDM1ACNR1CNR2HDAC2HDAC1
Hydrochloric Acid SCHEMBL5812318 0.81 HDAC2 (0.47) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL3356420 0.81 KDM1A (0.46) KDM1ACNR1CNR2HDAC2HDAC1
SCHEMBL2185224 0.81 KDM1A (0.46) KDM1ACNR1CNR2HDAC2HDAC1

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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 KDM1A 3174/4885CNR1 33/4885CNR2 51/4885

“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.