SCHEMBL20312939

SCHEMBL20312939

CN1CCC(C2CCCN2C(=O)CC(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ GNAI3 P08754 2/20 0.35
▸ GNAO1 P09471 2/20 0.35
▸ GNAI1 P63096 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL18382116 1.00 DRD2 (0.37) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL17001677 0.82 NPC1 (0.43) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL18382159 0.82 NPC1 (0.43) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL17001659 0.81 DRD2 (0.40) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL17001748 0.81 GNAI3 (0.41) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL17001746 0.81 GNAI3 (0.41) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL18382128 0.79 HCRTR2 (0.39) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL18382092 0.78 PREP (0.35) DRD2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17001723 0.78 DRD2 (0.38) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL17001682 0.78 DPP7 (0.43) DRD2DRD4NPC1RAB9ASMN1; SMN2

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-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 — — US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 — — 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-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 DRD2 485/4885DRD4 627/4885NPC1 1913/4885

“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.

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