SCHEMBL641949

SCHEMBL641949

CCc1ccc(C2CC(c3nc(-c4ccccn4)no3)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.63
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
F2R P25116 4/20 0.49
EPHX2 P34913 2/20 0.47
HSD11B1 P28845 3/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL640571 0.88 HSD11B1 (0.62) GRM5F2RHSD11B1
SCHEMBL642134 0.85 GRM5 (0.52) GRM5ALDH1A1F2RHSD11B1TSHR
SCHEMBL640801 0.85 GRM5 (0.53) GRM5SMN1; SMN2F2RHSD11B1CYP1A2
SCHEMBL642792 0.84 GRM5 (0.55) GRM5RAB9AEPHX2HSD11B1
SCHEMBL643040 0.84 GRM5 (0.49) GRM5ALDH1A1F2RHSD11B1TSHR
SCHEMBL642575 0.82 F2R (0.55) GRM5ALDH1A1F2RHSD11B1TSHR
SCHEMBL642569 0.82 GRM5 (0.56) GRM5MAPK1F2RHSD11B1MEN1
SCHEMBL643600 0.81 F2R (0.55) GRM5F2RHSD11B1MEN1KMT2A
SCHEMBL640565 0.81 GRM5 (0.73) GRM5
SCHEMBL13808302 0.80 GRM5 (0.48) GRM5ALDH1A1F2RHSD11B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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 (2 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 GRM5 1833/4885NPC1 67/4885MAPK1 3497/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 GRM5 1833/4885NPC1 67/4885MAPK1 3497/4885

“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.