SCHEMBL1763674

SCHEMBL1763674

COc1cc(C2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c(C(F)(F)F)cc1C(=O)NC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SLC9A1 P19634 15/20 0.46
CRBN Q96SW2 1/20 0.42
RBP4 P02753 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL1763643 0.91 CRBN (0.45) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL12593553 0.90 NR3C1 (0.50) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL1763399 0.84 SLC9A1 (0.54) SLC9A1RBP4MEN1KMT2ACYP2C9
SCHEMBL7994436 0.82 SLC9A1 (0.51) SLC9A1RBP4MEN1KMT2ACYP2C9
SCHEMBL12593507 0.81 CRBN (0.49) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL1763837 0.80 SLC9A1 (0.50) KCNH2SLC9A1RBP4CYP2C9CYP2C19
SCHEMBL1763883 0.79 SLC9A1 (0.69) KCNH2SLC9A1RBP4CYP2C9CYP2C19
SCHEMBL1763661 0.79 SLC9A1 (0.58) KCNH2SLC9A1RBP4MEN1KMT2A
SCHEMBL1764148 0.76 SLC9A1 (0.55) SLC9A1RBP4MEN1KMT2ACYP2C9
SCHEMBL1763461 0.76 SLC9A1 (0.55) KCNH2SLC9A1RBP4KMT2ACYP2C9

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 3 patents. 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
US-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2010005783-A1 PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 WO 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 NR3C1 2474/4885PGR 2826/4885SLC6A4 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.