SCHEMBL1197044

SCHEMBL1197044

COC(=O)[C@@H](N)Cc1c[nH]c2ccc(OC)c(F)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.53
ALDH1A1 P00352 2/20 0.41
TACR1 P25103 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
NQO2 P16083 1/20 0.41
KMT2A Q03164 5/20 0.41
HTR7 P34969 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SCN9A Q15858 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL1197042 1.00 HTR1A (0.53) HTR1AALDH1A1TACR1MTNR1AMTNR1B
SCHEMBL2013301 0.83 MTNR1A (0.58) ALDH1A1TACR1MTNR1AMTNR1BKMT2A
Hydrochloric Acid SCHEMBL28174732 0.82 MTNR1A (0.57) ALDH1A1TACR1MTNR1AMTNR1BKMT2A
Hydrochloric Acid SCHEMBL28174730 0.82 MTNR1A (0.57) ALDH1A1TACR1MTNR1AMTNR1BKMT2A
SCHEMBL5165399 0.78 HTR2A (0.64) HTR1AALDH1A1TACR1MTNR1AMTNR1B
SCHEMBL1195736 0.78 HTR2A (0.64) HTR1AALDH1A1TACR1MTNR1AMTNR1B
SCHEMBL31291685 0.77 HTR1A (0.60) HTR1AALDH1A1MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL6729297 0.77 HTR2A (0.62) HTR1AALDH1A1TACR1MTNR1AMTNR1B
SCHEMBL1196780 0.77 HTR2B (0.61) HTR1AALDH1A1TACR1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL6729301 0.77 HTR2A (0.62) HTR1AALDH1A1TACR1MTNR1AMTNR1B

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-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) 4SC AG (DE) 2011-02-03 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 (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-20110027226-A1 INDOLOPYRIDINES AS INHIBITORS OF THE KINESIN SPINDLE PROTEIN (EG5) KIF5A, KIF5C, KIF5B HTR1A 3485/4885ALDH1A1 3349/4885TACR1 3899/4885

“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.