SCHEMBL643016

SCHEMBL643016

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2noc(-c3cnccn3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.51
CNR1 P21554 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
AKR1C3 P42330 1/20 0.40
SCD5 Q86SK9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP3K12 Q12852 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
STAT3 P40763 1/20 0.35
TACR1 P25103 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
SCHEMBL640817 0.84 F2R (0.60) F2RCNR1TMEM97AKR1C3L3MBTL1
SCHEMBL10234787 0.84 F2R (0.50) F2RCNR1TMEM97AKR1C3L3MBTL1
SCHEMBL640854 0.82 F2R (0.57) F2RCNR1TMEM97AKR1C3USP2
SCHEMBL640844 0.82 F2R (0.54) F2RCNR1TMEM97AKR1C3SCD5
SCHEMBL12720611 0.82 F2R (0.50) F2RCNR1TMEM97AKR1C3L3MBTL1
SCHEMBL13808439 0.82 F2R (0.50) F2RCNR1TMEM97AKR1C3L3MBTL1
SCHEMBL10234796 0.82 F2R (0.54) F2RCNR1TMEM97AKR1C3KMT2A
SCHEMBL3973434 0.82 KMT2A (0.38) F2RSCD5L3MBTL1EPHX2LMNA
SCHEMBL10234797 0.82 F2R (0.51) F2RCNR1TMEM97AKR1C3L3MBTL1
SCHEMBL640369 0.81 F2R (0.54) F2RCNR1TMEM97AKR1C3LMNA

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 11 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-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 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
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 F2R 698/4885CNR1 454/4885TMEM97 1110/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885CNR1 454/4885TMEM97 1110/4885

“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.