SCHEMBL25910591

SCHEMBL25910591

Cc1ccc2[nH]cc(C[C@H](N)CO)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.57
HTR1D P28221 2/20 0.57
SCN9A Q15858 1/20 0.57
HTR2C P28335 4/20 0.54
HTR1A P08908 3/20 0.54
HTR2B P41595 3/20 0.54
NFKB1 P19838 2/20 0.54
HTR1B P28222 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PCSK9 Q8NBP7 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL5151410 1.00 HTR2A (0.57) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL1177374 1.00 HTR2A (0.57) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL5155794 0.88 HTR2A (0.57) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL5150887 0.88 HTR2A (0.57) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL4601805 0.88 HTR2A (0.57) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL30888859 0.84 HTR2C (0.71) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL6710624 0.84 HTR2C (0.71) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL10408386 0.84 HTR2C (0.71) HTR2AHTR1DSCN9AHTR2CHTR1A
SCHEMBL24913231 0.83 HTR2A (0.70) HTR2AHTR1DHTR2CHTR1AHTR2B
SCHEMBL1120488 0.83 HTR2A (0.70) HTR2AHTR1DHTR2CHTR1AHTR2B

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-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 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-11713325-B2 Antitumoral compounds TP53, TOP1, MCL1 HTR2A 4762/4885HTR1D 4565/4885SCN9A 3929/4885

“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.