SCHEMBL642004

SCHEMBL642004

O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nnc(-c3cccc(F)c3)o2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.52
RAB9A P51151 2/20 0.47
AKR1C3 P42330 1/20 0.41
NPC1 O15118 1/20 0.40
PAX8 Q06710 1/20 0.40
TACR1 P25103 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CNR1 P21554 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
LMNA P02545 1/20 0.37
RIPK1 Q13546 1/20 0.36

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
SCHEMBL641995 0.91 F2R (0.51) F2RRAB9AAKR1C3NPC1TACR1
SCHEMBL643798 0.91 F2R (0.61) F2RRAB9AAKR1C3TACR1CNR1
SCHEMBL642576 0.90 F2R (0.53) F2RRAB9AAKR1C3NPC1TACR1
SCHEMBL641618 0.85 F2R (0.53) F2RRAB9AAKR1C3PAX8TACR1
SCHEMBL12720142 0.84 F2R (0.52) F2RAKR1C3PAX8TACR1TRPM8
SCHEMBL642841 0.84 GRM5 (0.54) F2R
SCHEMBL643329 0.82 F2R (0.51) F2RRAB9AAKR1C3PAX8TACR1
SCHEMBL27819189 0.80 F2R (0.51) F2RAKR1C3PAX8TACR1TRPM8
SCHEMBL27819153 0.79 F2R (0.51) F2RAKR1C3PAX8TACR1TRPM8
SCHEMBL640903 0.77 GRM5 (0.53) LMNA

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 12 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
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 698/4885RAB9A 1335/4885AKR1C3 1732/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885RAB9A 1335/4885AKR1C3 1732/4885

“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.