SCHEMBL5145809

SCHEMBL5145809

Brc1cnc(N2CCN([C@H]3CCNC3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KHK P50053 5/20 0.39
HTR6 P50406 1/20 0.37
DPP4 P27487 7/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1744083 0.82 HRH3 (0.39) HTR2A
SCHEMBL573579 0.73 KDM4E (0.59) ALDH1A1TSHRCASP1
SCHEMBL3124327 0.73 ALDH1A1 (0.59) DPP4DPP8DPP7ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL16652554 0.72 KDM4E (0.62) ALDH1A1TSHRCASP1
SCHEMBL3529500 0.72 HRH3 (0.54) KCNH2
SCHEMBL18450209 0.71 ALDH1A1 (0.43) DPP4DPP8DPP7ALDH1A1CYP1A2
SCHEMBL694668 0.69 ALDH1A1 (0.53) DPP4DPP8DPP7ALDH1A1TSHR
SCHEMBL31482895 0.69 ROCK2 (0.38)
SCHEMBL1400723 0.69 HTR6 (0.56) KHKHTR6TSHRHTR2AHTR2C
SCHEMBL31208620 0.69 HTR6 (0.56) KHKHTR6HTR2CHTR2B

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-7291618-B2 Therapeutic compounds PFIZER INC (US) 2007-11-06 US disclosed
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 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-20050256310-A1 Therapeutic compounds REN, SLC5A1, SLC5A2 KHK 481/4885HTR6 2245/4885DPP4 26/4885

“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.