SCHEMBL8563558

SCHEMBL8563558

O=C1N[C@@H](Cc2c[nH]c3ccccc23)CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.55
HTR1B P28222 4/20 0.55
KMT2A Q03164 3/20 0.54
HTR1A P08908 2/20 0.54
HTR2A P28223 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR6 P50406 6/20 0.53
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
IDO1 P14902 2/20 0.50
SLC6A4 P31645 1/20 0.50
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
RIPK1 Q13546 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL31494628 1.00 HTR1D (0.55) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL8568165 1.00 HTR1D (0.55) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL4788826 1.00 HTR1D (0.55) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL1176937 0.81 HTR6 (0.51) KMT2AHTR6MAPTKDM4EALDH1A1
SCHEMBL1177303 0.81 HTR6 (0.51) KMT2AHTR6MAPTKDM4EALDH1A1
SCHEMBL1177553 0.81 HTR6 (0.51) KMT2AHTR6MAPTKDM4EALDH1A1
SCHEMBL837344 0.79 RIPK1 (0.54) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL4787924 0.79 HTR1B (0.59) HTR1DHTR1BKMT2AHTR1AHTR2A
SCHEMBL15220391 0.78 IDO1 (0.54) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL8882446 0.77 ALDH1A1 (0.44) HTR1DHTR1BKMT2AHTR1AHTR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059175-A1 Mutant Pi3k-Alpha Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2025-02-20 US disclosed
EP-2582666-B1 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS PURDUE PHARMA LP (US) 2014-08-13 EP disclosed
EP-2582666-A2 ARYL SUBSTITUTED INDOLES AND THEIR USE AS BLOCKERS OF SODIUM CHANNELS Purdue Pharma L.P. (US) 2013-04-24 EP disclosed
WO-2011158108-A2 ARYL SUBSTITUTED INDOLES AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2011-12-22 WO disclosed
EP-0665846-B1 TOPOISOMERASE II INHIBITORS AND THERAPEUTIC USES THEREFOR US HEALTH (US) 1998-07-29 EP disclosed
US-5747520-A AZATOXIN DERIVATIVES; ANTITUMOR AND ANTICARCINOGENIC AGENTS US ARMY (US) 1998-05-05 US disclosed
US-5622960-A ANTICANCER, ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-22 US disclosed
US-5606060-A ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1997-02-25 US disclosed
EP-0665846-A1 TOPOISOMERASE II INHIBITORS AND THERAPEUTIC USES THEREFOR THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-08-09 EP disclosed
WO-1994010175-A1 TOPOISOMERASE II INHIBITORS AND THERAPEUTIC USES THEREFOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 1994-05-11 WO 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-20250059175-A1 Mutant Pi3k-Alpha Inhibitors And Their Use As Pharmaceuticals PIK3CA, PIK3CD, PIK3R5 HTR1D 2562/4885HTR1B 2520/4885KMT2A 3767/4885

“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.