SCHEMBL414413

SCHEMBL414413

CCCC1(C(O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)CN1B(C)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.33
SLC6A2 P23975 8/20 0.33
SLC6A4 P31645 7/20 0.33
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL12056990 0.81
SCHEMBL414328 0.74 SLC6A3 (0.34) SLC6A3SLC6A2SLC6A4
SCHEMBL415454 0.72 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL415423 0.65 CYP2D6 (0.30) SLC6A3SLC6A2SLC6A4
SCHEMBL17707506 0.65 TACR2 (0.32) SLC6A3SLC6A2SLC6A4
SCHEMBL17707509 0.65 TACR2 (0.32) SLC6A3SLC6A2SLC6A4
SCHEMBL17707507 0.65 TACR2 (0.32) SLC6A3SLC6A2SLC6A4
SCHEMBL444129 0.64 KCNQ2 (0.36) SLC6A3SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL444534 0.63 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL413930 0.62 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4KCNH2ALDH1A1

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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR SLC6A3 4745/4885SLC6A2 4870/4885SLC6A4 4855/4885

“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.