SCHEMBL7791945

SCHEMBL7791945

O=C(CC1CCC2(CC1)OCCO2)N1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
MMP2 P08253 1/20 0.45
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FAP Q12884 1/20 0.41

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
SCHEMBL8474192 0.81 KDM4E (0.70) CYP2C9TSHRCYP3A4CYP2D6KDM4E
SCHEMBL7787513 0.81 ITGB3 (0.49) MMP2ITGB3ITGA2BCYP2C9TSHR
SCHEMBL7787414 0.80 ITGB3 (0.56) MMP2ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL7788399 0.79 MMP2 (0.49) MMP2ITGB3ITGA2BCYP2C9TSHR
SCHEMBL3847579 0.78 MAPT (0.55) CYP2C9TSHRCYP3A4CYP2D6ALDH1A1
SCHEMBL7782706 0.76 ITGB3 (0.59) ITGB3ITGA2BKDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL7790815 0.76 ITGB3 (0.47) ITGB3ITGA2BCYP2C9TSHRCYP3A4
SCHEMBL7791950 0.75 CYP2D6 (0.43) MMP2ITGB3ITGA2BCYP2C9TSHR
SCHEMBL7787524 0.74 KDM4E (0.45) HRH3MMP2CYP2C9TSHRCYP3A4
SCHEMBL785187 0.73 CHKA (0.53) ITGB3ITGA2BCYP2C9TSHRCYP3A4

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 HRH3 193/4885MMP2 1302/4885ITGB3 1193/4885

“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.