SCHEMBL643123

SCHEMBL643123

CCc1ccc(C2CC(c3nc(-c4ccc(F)cc4F)no3)CN(C(=O)N3CCC(O)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2R P25116 3/20 0.42
CNR1 P21554 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
GRM5 P41594 4/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CLPP Q16740 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL10234499 0.94 GRM5 (0.44) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL10234558 0.92 F2R (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL642157 0.91 F2R (0.50) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL643785 0.90 F2R (0.43) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL643382 0.88 F2R (0.51) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL641165 0.87 GRM5 (0.53) GRM5
SCHEMBL10234506 0.87 GRM5 (0.44) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL642778 0.87 GRM5 (0.46) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL10234519 0.85 F2R (0.49) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL10234503 0.85 F2R (0.50) MEN1KMT2AALDH1A1LMNATSHR

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 10 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
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

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 MEN1 2121/4885KMT2A 2858/4885ALDH1A1 609/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 MEN1 2121/4885KMT2A 2858/4885ALDH1A1 609/4885

“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.