SCHEMBL737428

SCHEMBL737428

O=C1COC2(CCNCC2)CN1c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 5/20 0.43
OPRM1 P35372 4/20 0.43
OPRL1 P41146 1/20 0.39
KCNH2 Q12809 2/20 0.38
HTR6 P50406 1/20 0.35
GRM2 Q14416 1/20 0.34
TRPV4 Q9HBA0 2/20 0.34
ADRA1A P35348 1/20 0.34
NPY5R Q15761 1/20 0.34
MGLL Q99685 1/20 0.33
ROCK2 O75116 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
SCHEMBL736270 0.85 HTR1A (0.36) SIGMAR1OPRM1ADRA1AROCK2
SCHEMBL735835 0.81 NPY5R (0.47) MEN1KMT2ASIGMAR1OPRM1OPRL1
SCHEMBL737442 0.81 SIGMAR1 (0.62) MEN1KMT2ASIGMAR1OPRM1KCNH2
SCHEMBL736873 0.78 SIGMAR1 (0.47) SIGMAR1OPRM1KCNH2NPY5RROCK2
SCHEMBL735827 0.78 SIGMAR1 (0.42) SIGMAR1OPRM1HTR6ADRA1AROCK2
SCHEMBL18735596 0.78 MEN1 (0.42) MEN1KMT2ASIGMAR1OPRM1OPRL1
SCHEMBL17319026 0.78 MEN1 (0.39) MEN1KMT2ASIGMAR1OPRM1OPRL1
SCHEMBL737501 0.77 SIGMAR1 (0.45) MEN1KMT2ASIGMAR1OPRM1KCNH2
SCHEMBL736048 0.77 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1OPRM1OPRL1
SCHEMBL17319028 0.77 SIGMAR1 (0.74) SIGMAR1OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 MEN1 2420/4885KMT2A 825/4885SIGMAR1 11/4885

“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.