Sugi Predict

Sugi Predict / Compounds / SCHEMBL641460

SCHEMBL641460

SCHEMBL641460

O=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(-c3ccccc3Cl)no2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.47
▸ F2R P25116 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44

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
SCHEMBL641246 0.93 F2R (0.56) HSD11B1F2RALDH1A1HTTTSHR
SCHEMBL640878 0.88 F2R (0.54) HSD11B1F2RALDH1A1HTTTSHR
SCHEMBL1581326 0.87 FAAH (0.52) HSD11B1F2RGRM5
SCHEMBL643312 0.84 GRM5 (0.61) GRM5
SCHEMBL12720316 0.84 F2R (0.44) F2RCNR1TMEM97
SCHEMBL643201 0.84 F2R (0.56) F2RCNR1TMEM97GRM5EPHX1
SCHEMBL640825 0.83 MEN1 (0.42) F2RALDH1A1HTTTSHRLMNA
SCHEMBL640783 0.83 DPP4 (0.43) F2RALDH1A1HTTTSHRLMNA
SCHEMBL643161 0.83 GRM5 (0.51) F2RALDH1A1HTTTSHRLMNA
SCHEMBL640923 0.82 GRM5 (0.56) GRM5

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 HSD11B1 1919/4885F2R 698/4885ALDH1A1 609/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 HSD11B1 1919/4885F2R 698/4885ALDH1A1 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.