SCHEMBL6069699

SCHEMBL6069699

COc1ccccc1N1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
MC4R P32245 1/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DRD2 P14416 4/20 0.49
SCN9A Q15858 1/20 0.49
TACR3 P29371 1/20 0.48
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6069703 1.00 KMT2A (0.57) KMT2AALDH1A1MEN1MC4RMAPT
SCHEMBL6070046 0.90 KMT2A (0.60) KMT2AALDH1A1MEN1MC4RLMNA
SCHEMBL6070052 0.90 KMT2A (0.60) KMT2AALDH1A1MEN1MC4RLMNA
SCHEMBL6708055 0.90 KMT2A (0.69) KMT2AALDH1A1MEN1MC4RLMNA
SCHEMBL6708057 0.90 KMT2A (0.69) KMT2AALDH1A1MEN1MC4RLMNA
SCHEMBL6069745 0.84 KMT2A (0.52) KMT2AALDH1A1MEN1MC4RLMNA
SCHEMBL6069737 0.84 KMT2A (0.52) KMT2AALDH1A1MEN1MC4RLMNA
SCHEMBL7598387 0.82 CHRM1 (0.52) KMT2ACYP3A4SCN9A
SCHEMBL6161351 0.82 KMT2A (0.57) KMT2AALDH1A1LMNACYP3A4SCN9A
SCHEMBL6069919 0.81 LMNA (0.54) KMT2AALDH1A1MEN1MAPTLMNA

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-7067518-B2 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH (US) 2006-06-27 US disclosed
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH 2005-05-19 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-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents HTR1A, HTR5A, HTR2C KMT2A 742/4885ALDH1A1 1298/4885MEN1 1771/4885

“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.