SCHEMBL1764032

SCHEMBL1764032

Cc1cc(C2CCNCC2)c(C(F)(F)F)cc1C(=O)NC(=N)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2C P28335 2/20 0.36
TP53 P04637 1/20 0.36
TACR1 P25103 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
HTR6 P50406 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
PLAT P00750 1/20 0.35

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
SCHEMBL1763747 0.90 CA1 (0.40) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL1763871 0.76 ITGB3 (0.38) HTR1ASLC6A2SLC6A4SLC6A3ITGB3
SCHEMBL1763934 0.74 SLC9A1 (0.54)
SCHEMBL1763563 0.73 SLC9A1 (0.51)
SCHEMBL1763651 0.73 SLC9A1 (0.46)
SCHEMBL1763910 0.72 SLC9A1 (0.47)
SCHEMBL1763801 0.72 SLC9A1 (0.55)
SCHEMBL1763822 0.71 SLC6A3 (0.42) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL1762989 0.71 SLC9A1 (0.49)
SCHEMBL1763706 0.71 RBP4 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 HTR1A 657/4885SLC6A2 79/4885SLC6A4 91/4885

“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.