SCHEMBL6445690

SCHEMBL6445690

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
ADAMTS4 O75173 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
OPRK1 P41145 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
TDP2 O95551 1/20 0.43
CSF1R P07333 1/20 0.43
FLT1 P17948 1/20 0.43
FLT3 P36888 1/20 0.43
PARP1 P09874 1/20 0.43
ERN1 O75460 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.43
DHODH Q02127 1/20 0.42
CHRNA1 P02708 1/20 0.42

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
SCHEMBL5555136 1.00 DPP4 (0.53) DPP4DPP8DPP9DPP7ADAMTS4
SCHEMBL5549345 0.85 ACHE (0.49) ERN1POLBACHE
SCHEMBL28004326 0.80 RXRA (0.55) DPP4DPP8DPP9DPP7ADAMTS4
SCHEMBL5553122 0.77 CYP17A1 (0.51) ADAMTS4CYP3A4PARP1POLBGAA
Hydrochloric Acid SCHEMBL9246979 0.77 LMNA (0.49) CYP2D6SLC6A2SLC6A3GAA
SCHEMBL24628679 0.77 HPGDS (0.45) DPP4DPP8PARP1
SCHEMBL31689005 0.76 PTGS2 (0.65) DPP4DPP8ADAMTS4CYP3A4DHODH
SCHEMBL2945299 0.76 UTS2R (0.48) DPP4DPP8DPP9DPP7ADAMTS4
SCHEMBL5549959 0.76 PRKCI (0.45) ADAMTS4CYP2D6ACHECHRNB4CHRNA3
SCHEMBL3721909 0.75 ALDH1A1 (0.53) TDP2PARP1ERN1POLBGAA

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 DPP4 729/4885DPP8 1542/4885DPP9 1149/4885

“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.