SCHEMBL640822

SCHEMBL640822

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
GAA P10253 4/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
F2R P25116 1/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL641919 0.87 ALDH1A1 (0.48) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL642307 0.86 ALDH1A1 (0.44) ALDH1A1GAALMNASMN1; SMN2RAB9A
SCHEMBL640464 0.84 KMT2A (0.58) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL1580058 0.84 ALDH1A1 (0.40) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL21065263 0.81 ALDH1A1 (0.51) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL16708938 0.81 ALDH1A1 (0.51) ALDH1A1GAAPOLBLMNASMN1; SMN2
SCHEMBL1580491 0.77 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL642964 0.76 MEN1 (0.54) ALDH1A1GAAPOLBLMNAHPGD
SCHEMBL640932 0.75 GAA (0.46) ALDH1A1GAAPOLBLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL641426 0.74 GAA (0.46) ALDH1A1GAAPOLBLMNASMN1; SMN2

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 9 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-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
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-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 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
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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 ALDH1A1 609/4885GAA 634/4885POLB 1108/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 ALDH1A1 609/4885GAA 634/4885POLB 1108/4885

“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.