SCHEMBL21882006

SCHEMBL21882006

C[C@@H]1CNc2cc(Cl)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
HTR2C P28335 4/20 0.35
AHR P35869 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL21882007 1.00 AKR1B1 (0.39) AKR1B1BRD4CREBBPADAMTS5SMN1; SMN2
SCHEMBL21882013 1.00 AKR1B1 (0.39) AKR1B1BRD4CREBBPADAMTS5SMN1; SMN2
SCHEMBL23920083 0.86 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CAHR
SCHEMBL22955689 0.86 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CAHR
SCHEMBL23920182 0.86 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CAHR
SCHEMBL22791631 0.81 CREBBP (0.58) AKR1B1BRD4CREBBPSMN1; SMN2NISCH
SCHEMBL22791978 0.81 CREBBP (0.58) AKR1B1BRD4CREBBPSMN1; SMN2NISCH
SCHEMBL23920549 0.79 AHR (0.39) ADAMTS5SMN1; SMN2HTR2CAHRNISCH
SCHEMBL21621076 0.79 AHR (0.39) ADAMTS5SMN1; SMN2HTR2CAHRNISCH
SCHEMBL21882009 0.79 ADAMTS5 (0.38) ADAMTS5HTR2CAHRNISCHADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2023-02-09 US disclosed
US-11318133-B2 Modulators of integrated stress response pathway Praxis Biotech LLC (US) 2022-05-03 US disclosed
US-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 US disclosed
WO-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 WO disclosed
US-20200390759-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-12-17 US disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 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 (6 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-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 AKR1B1 2320/4885BRD4 2132/4885CREBBP 37/4885
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 AKR1B1 2292/4885BRD4 1541/4885CREBBP 101/4885
US-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 AKR1B1 2292/4885BRD4 1541/4885CREBBP 101/4885
US-20200390759-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 AKR1B1 2320/4885BRD4 2132/4885CREBBP 37/4885
US-11318133-B2 Modulators of integrated stress response pathway ATF4, ATF1, DDIT3 AKR1B1 2320/4885BRD4 2132/4885CREBBP 37/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 AKR1B1 2292/4885BRD4 1541/4885CREBBP 101/4885

“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.