SCHEMBL4025447

SCHEMBL4025447

C[C@H](O)CN1C[CH][C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL4024451 0.83 RORC (0.43) RORCMEN1KMT2ACA1CA2
SCHEMBL4774167 0.83 RORC (0.43) RORCMEN1KMT2ACA1CA2
SCHEMBL4019955 0.81 RORC (0.57) RORCMEN1KMT2AMAPK1CYP1A2
SCHEMBL4019459 0.81 RORC (0.57) RORCMEN1KMT2AMAPK1CYP1A2
SCHEMBL4021517 0.79 HRH3 (0.42) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4780139 0.79 HRH3 (0.42) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4020945 0.77 ALDH1A1 (0.51) KMT2ACYP2C19NPC1ALDH1A1LMNA
SCHEMBL4028150 0.76 KMT2A (0.37) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4026677 0.75 ALDH1A1 (0.42) RORCMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4019872 0.74 KMT2A (0.37) RORCMEN1KMT2ACYP1A2CYP3A4

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 RORC 183/4885MEN1 77/4885KMT2A 2820/4885

“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.