SCHEMBL18768480

SCHEMBL18768480

c1cc(N2CCN(C3CCOCC3)CC2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.44
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38

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
SCHEMBL29464006 0.81 SORD (0.51) SORDCYP1A2CYP2C9CYP2C19PIK3CA
SCHEMBL459151 0.81 SORD (0.51) SORDCYP1A2CYP2C9CYP2C19PIK3CA
SCHEMBL9767811 0.79 — —
SCHEMBL15416119 0.78 HRH3 (0.43) SORDHRH3TLR9TLR8TLR7
SCHEMBL18751497 0.77 USP2 (0.45) SORDHRH3TLR9TLR8TLR7
SCHEMBL30775404 0.71 SORD (0.56) SORDGPR119RIPK1
SCHEMBL4453478 0.71 SORD (0.56) SORDGPR119RIPK1
SCHEMBL30309936 0.71 MAPT (0.49) HRH3CYP11B2HSD11B1CYP1A2CYP3A4
SCHEMBL15779145 0.71 MAPT (0.49) HRH3CYP11B2HSD11B1CYP1A2CYP3A4
SCHEMBL27903580 0.71 GPR119 (0.42) SORDGPR119CYP2D6

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-9975906-B2 Tricyclic heterocycle derivatives having HIV replication inhibitory effect SHIONOGI & CO., LTD. (JP) 2018-05-22 — — US disclosed
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT SHIONOGI & CO., LTD. (JP) 2017-04-20 — — 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-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT NR4A1, NR4A3, NR0B1 SORD 2795/4885HRH3 790/4885MAPK11 2446/4885

“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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