SCHEMBL13379894

SCHEMBL13379894

CB(O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 10/20 0.54
▸ DRD2 P14416 1/20 0.50
▸ CYP2D6 P10635 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL14112100 0.85 SLC18A3 (0.53) SLC18A3CYP2D6TSHRSMN1; SMN2CYP1A2
SCHEMBL15502340 0.82 SLC18A3 (0.50) SLC18A3DRD2
SCHEMBL15581594 0.82 DRD2 (0.58) DRD2SIGMAR1
SCHEMBL13225909 0.80 DRD2 (0.40) SLC18A3DRD2SIGMAR1ALDH1A1
SCHEMBL13406302 0.80 CYP11B2 (0.54) ALDH1A1
SCHEMBL14252408 0.74 SLC18A3 (0.55) SLC18A3DRD2CYP2D6TSHRSMN1; SMN2
SCHEMBL54932 0.74 DRD2 (0.63) SLC18A3DRD2CYP2D6TSHRCYP1A2
SCHEMBL1477625 0.74 SLC18A3 (0.58) SLC18A3DRD2CYP2D6TSHRSMN1; SMN2
SCHEMBL13210996 0.74 RAB9A (0.35) SLC18A3DRD2TSHRSMN1; SMN2ALDH1A1
SCHEMBL10201928 0.73 TRPC6 (0.43) SLC18A3DRD2SMN1; 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-7700778-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. (US) 2010-04-20 — — US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 — — 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R SLC18A3 284/4885DRD2 119/4885CYP2D6 885/4885

“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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