SCHEMBL7791950

SCHEMBL7791950

CC(C)(C)OC(=O)CC1(O)CCC(CC(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
MMP2 P08253 2/20 0.40
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
GRM5 P41594 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
FAP Q12884 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7790321 0.85 DRD2 (0.46) ITGB3ITGA2BGPR119
SCHEMBL7790821 0.85 CYP2D6 (0.42) CYP2D6CYP2C9TSHRCYP3A4MMP2
SCHEMBL7787513 0.84 ITGB3 (0.49) CYP2D6CYP2C9TSHRCYP3A4MMP2
Trifluoroacetic Acid SCHEMBL7790815 0.81 ITGB3 (0.47) CYP2D6CYP2C9TSHRCYP3A4ITGB3
SCHEMBL7791932 0.76 ITGB3 (0.52) MMP2ITGB3ITGA2BHIF1AKDM4E
SCHEMBL7788394 0.75 ITGB3 (0.55) MMP2ITGB3ITGA2B
SCHEMBL7787524 0.75 KDM4E (0.45) CYP2D6CYP2C9TSHRCYP3A4MMP2
SCHEMBL7791945 0.75 HRH3 (0.47) CYP2D6CYP2C9TSHRCYP3A4MMP2
SCHEMBL7787414 0.74 ITGB3 (0.56) MMP2ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL7790324 0.73 ITGB3 (0.58) MMP2ITGB3ITGA2B

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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS TSAKLAKIDIS CHRISTOS (DE) 2001-07-26 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-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS CYP4B1, NR4A1, CYP3A43 CYP2D6 11/4885CYP2C9 143/4885TSHR 1345/4885

“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.