SCHEMBL2424745

SCHEMBL2424745

Cc1cc([N+]2(N3CCC[C@H]3C)CCCC2)ccc1NC(=O)c1cc(F)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.58
KCNH2 Q12809 5/20 0.58
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.38
PLAT P00750 1/20 0.37
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
OXTR P30559 1/20 0.36
CHRM3 P20309 1/20 0.36
CCR8 P51685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL2427709 0.99 HRH3 (0.57) HRH3KCNH2MAPTGAATP53
SCHEMBL2419695 0.86 SMN1; SMN2 (0.48) HRH3KCNH2MAPTTP53SMN1; SMN2
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) HRH3KCNH2THRB
SCHEMBL2421213 0.80 KMT2A (0.44) HRH3MAPTKDM4ELMNA
SCHEMBL223649 0.80 KCNH2 (0.46) HRH3KCNH2MAPTGAATP53
SCHEMBL223654 0.79 KMT2A (0.46) HRH3KCNH2GAATP53THRB
SCHEMBL2428638 0.79 HRH3 (0.38) HRH3KCNH2MAPT
SCHEMBL223823 0.79 HRH3 (0.38) HRH3KCNH2CCR8
SCHEMBL219754 0.79 PKM (0.51) MAPTGAATP53SMN1; SMN2KDM4E
SCHEMBL2422227 0.79 GRM5 (0.40) HRH3KCNH2

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-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
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 HRH3 1/4885KCNH2 1508/4885MAPT 1607/4885

“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.