SCHEMBL12226002

SCHEMBL12226002

Nc1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c(Cl)c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 2/20 0.62
▸ HRH3 Q9Y5N1 2/20 0.57
▸ DRD2 P14416 2/20 0.55
▸ DRD4 P21917 2/20 0.55
▸ DRD3 P35462 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ HTR2B P41595 1/20 0.55

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
SCHEMBL12226320 0.94 SLC6A12 (0.68) SLC6A12HRH3DRD2DRD4DRD3
SCHEMBL2389022 0.91 SLC6A12 (0.58) SLC6A12HRH3DRD2DRD4DRD3
SCHEMBL2389642 0.91 SLC6A12 (0.58) SLC6A12HRH3DRD2DRD4SIGMAR1
SCHEMBL12226771 0.86 OPRK1 (0.64) SLC6A12DRD2DRD4OPRK1SIGMAR1
SCHEMBL2389715 0.84 SLC6A12 (0.62) SLC6A12HRH3DRD2DRD4DRD3
SCHEMBL4449531 0.79 ACHE (0.58) SLC6A12DRD4KCNH2ACHESIGMAR1
SCHEMBL12227457 0.79 KMT2A (0.61) SLC6A12DRD2DRD4DRD3CYP3A4
SCHEMBL12226805 0.79 OPRK1 (0.70) SLC6A12DRD2DRD4OPRK1SIGMAR1
SCHEMBL12227458 0.78 OPRK1 (0.54) SLC6A12DRD4OPRK1KCNH2SIGMAR1
SCHEMBL29827636 0.78 SLC6A12 (1.00) SLC6A12DRD4SIGMAR1

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
WO-2011123681-A1 METHODS FOR USING CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 — — WO disclosed
US-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 — — US disclosed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 — — WO 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-20110245222-A1 Methods for Using Carboxamide, Sulfonamide and Amine Compounds CS, SHMT2, GOT2 SLC6A12 1536/4885HRH3 2514/4885DRD2 3031/4885

“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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