SCHEMBL7790830

SCHEMBL7790830

O=C(O)CC1CCC(CN2CCN(c3ccnnc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD3 P35462 2/20 0.44
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
FFAR4 Q5NUL3 4/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL7787432 0.86 ITGB3 (0.53) DRD2DRD3ITGB3ITGA2BFFAR4
SCHEMBL7787452 0.85 KDM4E (0.46) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7790824 0.84 SLC6A4 (0.43) DRD2DRD3ITGB3ITGA2BHTR2A
SCHEMBL7787422 0.84 TDP1 (0.49) ITGB3ITGA2B
SCHEMBL7790305 0.82 ITGB3 (0.47) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7790314 0.81 ALDH1A1 (0.47) ITGB3ITGA2B
SCHEMBL7790836 0.81 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7790329 0.79 MAPT (0.50) ITGB3ITGA2B
SCHEMBL28936913 0.78 ITGB3 (0.38) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL7782716 0.76 DRD2 (0.59) DRD2DRD3ITGB3ITGA2B

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 DRD2 752/4885DRD3 326/4885ITGB3 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.