SCHEMBL387852

SCHEMBL387852

CN[C@H]1CN(c2ccc(Br)cn2)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ PANK3 Q9H999 1/20 0.39
▸ OPRK1 P41145 12/20 0.38
▸ ADK P55263 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ KRAS P01116 1/20 0.35

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
SCHEMBL387853 1.00 HRH4 (0.43) HRH4ACACBPDE10AGRIN2DGRIN3B
SCHEMBL15382207 0.84 HRH4 (0.44) HRH4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL26918962 0.79 ACACB (0.43) ACACBPDE10AGRIN2DGRIN3BGRIN1
SCHEMBL26918920 0.79 ACACB (0.43) ACACBPDE10AGRIN2DGRIN3BGRIN1
SCHEMBL29749147 0.78 RET (0.53) ACACBPDE10AAKR1C3OPRK1
SCHEMBL13547453 0.78 PDE10A (0.50) ACACBPDE10AGRIN2DGRIN3BGRIN1
SCHEMBL30283050 0.78 PDE10A (0.50) ACACBPDE10AGRIN2DGRIN3BGRIN1
SCHEMBL29782973 0.76 ACACB (0.44) ACACBAKR1C3PANK3OPRK1OPRM1
SCHEMBL391497 0.73 PDE10A (0.42) ACACBPDE10AGRIN2DGRIN3BGRIN1
SCHEMBL10168654 0.73 PDE10A (0.42) ACACBPDE10AGRIN2DGRIN3BGRIN1

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 — — US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 — — 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HRH4 105/4885ACACB 4430/4885PDE10A 1526/4885

“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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