SCHEMBL7524765

SCHEMBL7524765

CCc1cccc2[nH]c(NCCN3CCN(c4ccccn4)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.48
PIM1 P11309 1/20 0.48
DRD2 P14416 2/20 0.45
PARP1 P09874 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRK1 P41145 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CHIA Q9BZP6 1/20 0.44
HTR2A P28223 1/20 0.44
TSHR P16473 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
Bromide SCHEMBL7773481 0.85 TSHR (0.48) DRD4PIM1DRD2PARP1KDM4E
SCHEMBL7519030 0.82 DRD4 (0.67) DRD4PIM1DRD2PARP1KDM4E
Bromide SCHEMBL7519988 0.81 DRD4 (0.65) DRD4PIM1DRD2PARP1KDM4E
SCHEMBL7773402 0.81 HTR1A (0.53) DRD4DRD2HTR1AHTR2A
SCHEMBL7856043 0.77 DRD4 (0.45) DRD4DRD2PARP1KDM4EALDH1A1
Bromide SCHEMBL7773474 0.76 DRD4 (0.44) DRD4DRD2PARP1KDM4EALDH1A1
SCHEMBL7855540 0.71 TSHR (0.49) DRD4PIM1DRD2PARP1SIGMAR1
SCHEMBL976546 0.71 DRD2 (0.57) DRD4DRD2HTR1AHTR2A
Bromide SCHEMBL7773379 0.71 TSHR (0.48) DRD4PIM1DRD2PARP1SIGMAR1
SCHEMBL10053231 0.69 KCNH2 (0.64) DRD4DRD2KDM4EALDH1A1SIGMAR1

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
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO claimed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 DRD4 31/4885PIM1 3566/4885DRD2 8/4885

“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.