SCHEMBL17117548

SCHEMBL17117548

NCC1CCCCCCCCCCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.48
▸ NCF1 P14598 1/20 0.46
▸ PLG P00747 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CHRM5 P08912 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39

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
SCHEMBL14417956 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL19992007 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
Decarboxylated Derivative SCHEMBL5183307 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL15444322 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL131302 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL469120 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL10990399 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL12252084 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL22078896 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT
SCHEMBL18102722 1.00 CYP2D6 (0.54) CYP2D6SIGMAR1NCF1PLGPLAT

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-20220017567-A1 METHODS OF GENERATING NANOARRAYS AND MICROARRAYS NAUTILUS SUBSIDIARY, INC. 2022-01-20 — — US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 — — US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 — — 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 (3 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC CYP2D6 1331/4885SIGMAR1 694/4885NCF1 772/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC CYP2D6 626/4885SIGMAR1 581/4885NCF1 852/4885
US-20220017567-A1 METHODS OF GENERATING NANOARRAYS AND MICROARRAYS NAPA, SSBP1, NASP CYP2D6 4865/4885SIGMAR1 2645/4885NCF1 187/4885

“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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