SCHEMBL12420344

SCHEMBL12420344

COc1cc2c(cc1C)NCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.43
HTR2C P28335 6/20 0.43
HTR2B P41595 6/20 0.43
MAOA P21397 4/20 0.41
TSHR P16473 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL5564105 0.86 MAOA (0.49) HTR2AHTR2CHTR2BMAOATSHR
SCHEMBL13942395 0.81 HTR2A (0.43) HTR2AHTR2CHTR2BMAOATSHR
SCHEMBL22340168 0.80 HTR2C (0.53) HTR2AHTR2CHTR2BMAOATSHR
SCHEMBL1701913 0.80 MAOA (0.54) MAOADRD2DRD4MAPT
SCHEMBL8261456 0.80 DRD2 (0.47) DRD2DRD4MAPT
SCHEMBL7080334 0.77 HTR2A (0.55) HTR2AHTR2CHTR2BMAOATSHR
SCHEMBL20232167 0.77 HTR2A (0.65) HTR2AHTR2CHTR2BMAOATSHR
SCHEMBL5186942 0.76 MAOA (0.54) MAOADRD2DRD4
SCHEMBL18115471 0.76 HTR2C (0.64) HTR2AHTR2CHTR2BTSHRDRD2
SCHEMBL20232210 0.76 PARP10 (0.53) HTR2AHTR2CHTR2BMEN1KMT2A

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-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 HTR2A 1128/4885HTR2C 1250/4885HTR2B 2489/4885

“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.