SCHEMBL7117352

SCHEMBL7117352

Cc1ccc(SCCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
DRD2 P14416 3/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
DRD3 P35462 3/20 0.39
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR3 P51677 1/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL7119307 0.88 ALDH1A1 (0.40) POLBNPC1KDM4EALDH1A1RAB9A
SCHEMBL7124354 0.86 KCNH2 (0.36) POLBKDM4EALDH1A1DRD2DRD1
SCHEMBL7123088 0.86 THRB (0.36) POLBKDM4EALDH1A1DRD2DRD1
SCHEMBL7125225 0.86 ADRA1B (0.32) POLBKDM4EALDH1A1HTR1A
SCHEMBL7125424 0.85 MEN1 (0.32) POLBDRD2DRD1DRD5DRD3
SCHEMBL7126559 0.84 DRD2 (0.41) DRD2DRD1DRD5DRD3HTR1A
SCHEMBL7126603 0.84 DRD2 (0.36) KDM4EDRD2DRD1DRD5DRD3
SCHEMBL7125679 0.84 KMT2A (0.46) NPC1KDM4EALDH1A1RAB9ADRD2
SCHEMBL7121401 0.83 DRD2 (0.38) ALDH1A1DRD2DRD1DRD5DRD3
SCHEMBL7120263 0.83 KDM4E (0.34) KDM4EALDH1A1DRD2DRD3HTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US claimed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP claimed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 POLB 4383/4885NPC1 1532/4885KDM4E 2331/4885

“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.