SCHEMBL20101592

SCHEMBL20101592

O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CN(C(=O)c3ccc(-c4ccccc4)cn3)C[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 2/20 0.46
▸ MGLL Q99685 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ SLC6A7 Q99884 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ GHSR Q92847 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 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
SCHEMBL16759760 0.85 MGLL (0.42) HTR2BMGLLSLC6A7HPGDPRKAB2
SCHEMBL22911178 0.85 MGLL (0.42) HTR2BMGLLSLC6A7HPGDPRKAB2
SCHEMBL16963203 0.85 HTR2B (0.39) HTR2BMGLLSLC6A7HPGDGHSR
SCHEMBL16963201 0.85 HTR2B (0.39) HTR2BMGLLSLC6A7HPGDGHSR
SCHEMBL16963608 0.85 HTR2B (0.38) HTR2BMGLLSLC6A7HPGDGHSR
SCHEMBL20101594 0.84 MKNK1 (0.52) HTR2BSLC6A7HPGDGHSRCHRNB2
SCHEMBL18540872 0.81 NAAA (0.45) HTR2BSLC6A7GHSRATXN2
SCHEMBL16962981 0.81 NAAA (0.45) HTR2BSLC6A7GHSRATXN2
SCHEMBL16962810 0.81 ATXN2 (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16963872 0.81 ATXN2 (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA7

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-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — 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 (2 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB HTR2B 788/4885MGLL 4119/4885TLR2 3641/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB HTR2B 667/4885MGLL 4232/4885TLR2 3721/4885

“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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