SCHEMBL20599253

SCHEMBL20599253

C[CH]C(=O)C1(N2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A3 Q01959 1/20 0.46
HSD11B1 P28845 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HTR2A P28223 1/20 0.45
OPRM1 P35372 2/20 0.44
ACHE P22303 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL18458736 0.85 MEN1 (0.56) KCNH2MEN1KMT2ASLC6A3HSD11B1
SCHEMBL21337310 0.81 MEN1 (0.52) KCNH2MEN1KMT2ASLC6A3HSD11B1
SCHEMBL18458294 0.80 KCNA3 (0.58) OPRM1
SCHEMBL18457935 0.78 HTR1A (0.57) KCNH2MEN1KMT2AHTR1ADRD2
SCHEMBL7264546 0.72 SLC6A3 (0.83) KCNH2MEN1KMT2ASLC6A3HTR1A
SCHEMBL13150782 0.72 SLC6A3 (0.83) KCNH2MEN1KMT2ASLC6A3HTR1A
SCHEMBL6056974 0.72 SLC6A3 (0.83) KCNH2MEN1KMT2ASLC6A3HTR1A
SCHEMBL14407778 0.72 SLC6A3 (0.83) KCNH2MEN1KMT2ASLC6A3HTR1A
SCHEMBL10902405 0.72 MEN1 (0.67) KCNH2MEN1KMT2ASLC6A3HTR1A
SCHEMBL19281805 0.72 SIGMAR1 (0.49) KCNH2KMT2ADRD2SIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 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 (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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 KCNH2 1091/4885MEN1 4882/4885KMT2A 2699/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 KCNH2 1091/4885MEN1 4882/4885KMT2A 2699/4885

“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.