SCHEMBL12894534

SCHEMBL12894534

CC(C)N[C@@H](Cc1c[nH]c2ccc(O)cc12)c1cscn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.52
▸ CYP2D6 P10635 5/20 0.52
▸ HTR1A P08908 5/20 0.52
▸ HTR2A P28223 5/20 0.52
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ HTR2B P41595 4/20 0.52
▸ HTR1D P28221 4/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ HTR1B P28222 2/20 0.52
▸ CYP3A4 P08684 4/20 0.47
▸ NPSR1 Q6W5P4 6/20 0.45
▸ BLM P54132 3/20 0.45
▸ SPR P35270 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TSHR P16473 3/20 0.44

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
SCHEMBL12921572 0.89 HTR2C (0.51) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL12895290 0.88 HTR2A (0.41) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL12894457 0.82 HTR2C (0.51) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL12894535 0.81 HTR2C (0.53) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL15281780 0.81 HTR2C (0.57) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL5108611 0.81 HTR2C (0.57) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL15281771 0.81 HTR2C (0.57) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL13756707 0.75 ESR1 (0.42) CYP2D6HTR2ACYP1A2CYP3A4NPSR1
SCHEMBL6981457 0.72 HTR2C (0.77) HTR2CCYP2D6HTR1AHTR2ACYP1A2
SCHEMBL19361707 0.71 HTR2C (0.60) HTR2CCYP2D6HTR1AHTR2ACYP1A2

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-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 HTR2C 1081/4885CYP2D6 153/4885HTR1A 2078/4885

“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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