SCHEMBL640464

SCHEMBL640464

CCOC(=O)C1CC(c2ccc(OC)cc2)CN(C(=O)C2CCCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 7/20 0.54
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.47
F2R P25116 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL641535 0.87 F2R (0.61) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL642964 0.87 MEN1 (0.54) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL642562 0.86 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL641727 0.85 MEN1 (0.57) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL1580523 0.85 F2R (0.44) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL640221 0.84 MEN1 (0.56) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL640822 0.84 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL641919 0.82 ALDH1A1 (0.48) KMT2AALDH1A1GAAPOLBHPGD
SCHEMBL21065263 0.81 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL16708938 0.81 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
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 (2 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 KMT2A 2858/4885MEN1 2121/4885ALDH1A1 609/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 KMT2A 2858/4885MEN1 2121/4885ALDH1A1 609/4885

“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.