SCHEMBL2422227

SCHEMBL2422227

Cc1cccc(C(=O)Nc2ccc([N+]3(N4CCC[C@@H]4C)CCCC3)cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA10 Q9GZZ6 2/20 0.40
CHRNA9 Q9UGM1 2/20 0.40
NTRK1 P04629 1/20 0.40
ACKR3 P25106 3/20 0.39
IRAK4 Q9NWZ3 7/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
P2RX7 Q99572 1/20 0.37
FLT3 P36888 1/20 0.37
MMP13 P45452 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2417740 0.94 NTRK1 (0.38) GRM5CHRNA7CHRNA10CHRNA9NTRK1
SCHEMBL222179 0.85 IRAK4 (0.37) IRAK4KCNH2HRH3
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) KCNH2HRH3
SCHEMBL2421213 0.82 KMT2A (0.44) HRH3
SCHEMBL2419695 0.82 SMN1; SMN2 (0.48) KCNH2HRH3
SCHEMBL222647 0.82 KMT2A (0.41) KCNH2HRH3
SCHEMBL219754 0.81 PKM (0.51)
Trifluoroacetic Acid SCHEMBL220163 0.80 GPR6 (0.35) IRAK4KCNH2HRH3
SCHEMBL223649 0.80 KCNH2 (0.46) KCNH2HRH3
SCHEMBL2428638 0.79 HRH3 (0.38) KCNH2HRH3

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
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 GRM5 229/4885CHRNA7 66/4885CHRNA10 88/4885

“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.