SCHEMBL6448616

SCHEMBL6448616

CC(c1ccc(-c2ccc(-c3cccc(C#N)c3)cc2)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
PGR P06401 2/20 0.43
MCHR1 Q99705 3/20 0.42
ALDH1A1 P00352 2/20 0.41
ADAMTS4 O75173 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SLC6A7 Q99884 1/20 0.40
KCNK3 O14649 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
PTPN5 P54829 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
SCHEMBL5553163 0.85 SLC6A3 (0.47) HRH3CYP2D6
SCHEMBL6224919 0.80 SLC6A3 (0.50) HRH3ALDH1A1USP2CYP3A4CYP2D6
SCHEMBL12919972 0.79 ADAMTS4 (0.48) PGRMCHR1ALDH1A1ADAMTS4CYP1A2
SCHEMBL5553174 0.76 CYP2D6 (0.41) CYP2D6
SCHEMBL5549959 0.75 PRKCI (0.45) HRH3ADAMTS4CYP2D6
SCHEMBL5553081 0.74 MCHR1 (0.47) PGRMCHR1ALDH1A1ADAMTS4CYP1A2
SCHEMBL5554008 0.73 SLC6A3 (0.48) ALDH1A1MEN1CYP3A4KMT2ACYP2D6
SCHEMBL6447344 0.73 SLC6A3 (0.48) ALDH1A1MEN1CYP3A4KMT2ACYP2D6
SCHEMBL6445690 0.73 DPP4 (0.53) ADAMTS4CYP3A4CYP2D6OPRK1
SCHEMBL5555136 0.73 DPP4 (0.53) ADAMTS4CYP3A4CYP2D6OPRK1

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
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 DRD2 128/4885DRD3 92/4885HRH3 1/4885

“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.