SCHEMBL3969441

SCHEMBL3969441

O=CN1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nnc(-c3ccccc3)s2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
ACACB O00763 1/20 0.36
IL4I1 Q96RQ9 1/20 0.35
KDM1A O60341 1/20 0.34
ACHE P22303 1/20 0.34
WNT3A P56704 2/20 0.34
CNR1 P21554 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
P2RY14 Q15391 1/20 0.33
GRM2 Q14416 1/20 0.33
DGAT1 O75907 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
P2RY1 P47900 1/20 0.33

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
SCHEMBL3965657 0.82 F2R (0.35) F2RMEN1KMT2AHCRTR1HCRTR2
SCHEMBL640843 0.81 F2R (0.47) F2RMEN1KMT2AWNT3ACNR1
SCHEMBL29277497 0.76 MEN1 (0.45) F2RMEN1KMT2AKDM1AACHE
SCHEMBL3969596 0.75 F2R (0.47) F2RMEN1KMT2AHCRTR1HCRTR2
SCHEMBL29193230 0.71 HRH3 (0.41) IL4I1ACHEDGAT1
SCHEMBL2963821 0.70 F2R (0.50) F2RMEN1KMT2AHCRTR1HCRTR2
SCHEMBL3974179 0.70 F2R (0.40) F2RMEN1KMT2AACHECNR1
Hydrochloric Acid SCHEMBL3973429 0.69 F2R (0.49) F2RMEN1KMT2AHCRTR1HCRTR2
SCHEMBL3963514 0.69 TRPV1 (0.41) F2RHCRTR1HCRTR2P2RY14
SCHEMBL3972754 0.69 GRM5 (0.48) F2RCNR1TMEM97

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US 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 (1 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 698/4885MEN1 2121/4885KMT2A 2858/4885

“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.