SCHEMBL641737

SCHEMBL641737

NC(=NO)C1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.59
AKR1C3 P42330 2/20 0.49
TACR1 P25103 1/20 0.41
RORC P51449 2/20 0.40
LIPE Q05469 1/20 0.39
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL10233763 1.00 F2R (0.59) F2RAKR1C3TACR1RORCLIPE
SCHEMBL641316 0.89 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL641587 0.88 F2R (0.61) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL485914 0.86 F2R (0.67) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL641606 0.83 F2R (0.63) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL10188767 0.83 F2R (0.65) F2RAKR1C3TACR1RORCLIPE
SCHEMBL9894457 0.83 F2R (0.65) F2RAKR1C3TACR1RORCLIPE
Hydrochloric Acid SCHEMBL663373 0.82 F2R (0.64) F2RAKR1C3TACR1RORCKMT2A
SCHEMBL9894456 0.81 F2R (0.65) F2RAKR1C3TACR1RORCLIPE
SCHEMBL3800439 0.80 F2R (0.62) F2RAKR1C3TACR1RORCKMT2A

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 6 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-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
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 698/4885AKR1C3 1732/4885TACR1 1493/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 F2R 698/4885AKR1C3 1732/4885TACR1 1493/4885

“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.