SCHEMBL23378583

SCHEMBL23378583

CCCCC(C)c1ccnc(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.38
▸ ADRB2 P07550 8/20 0.35
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ BDKRB2 P30411 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL18699175 0.90 GAA (0.35) GPR84USP2ALDH1A1GAAPKM
SCHEMBL22025156 0.82 ALDH1A1 (0.49) USP2ALDH1A1GAAPKMHPGD
SCHEMBL5495738 0.78 GPR84 (0.36) GPR84ADRB2HPGDBDKRB2
SCHEMBL18927454 0.78 BDKRB2 (0.30) BDKRB2
SCHEMBL7932616 0.77 ESR1 (0.40) —
SCHEMBL22298879 0.77 UHRF1 (0.38) GPR84HPGDBDKRB2PSEN1PSEN2
SCHEMBL5973792 0.77 GPR84 (0.38) GPR84HPGDBDKRB2
SCHEMBL26774132 0.76 LOXL2 (0.41) —
SCHEMBL22299579 0.75 LOXL2 (0.36) GPR84ADRB2HPGDBDKRB2
SCHEMBL18879378 0.75 KDM4E (0.38) GPR84HPGDBDKRB2PSEN1PSEN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145844-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2021-05-20 — — 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-20210145844-A1 COMBINATION THERAPY FOR NICOTINE ADDICTION CHRNA2, ALDH2, ALDH1A1 GPR84 933/4885ADRB2 32/4885USP2 899/4885

“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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