SCHEMBL23920182

SCHEMBL23920182

C[C@H]1CNc2ccc(Cl)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HTR2C P28335 7/20 0.36
NTRK1 P04629 1/20 0.36
AHR P35869 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2B P41595 4/20 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
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22955689 1.00 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CNTRK1
SCHEMBL23920083 1.00 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CNTRK1
SCHEMBL21882013 0.86 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CAHR
SCHEMBL21882006 0.86 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CAHR
SCHEMBL21882007 0.86 AKR1B1 (0.39) AKR1B1BRD4CREBBPHTR2CAHR
SCHEMBL7345041 0.81 CREBBP (0.46) AKR1B1BRD4CREBBPALDH1A1CYP1A2
SCHEMBL22791448 0.81 CREBBP (0.46) AKR1B1BRD4CREBBPALDH1A1CYP1A2
SCHEMBL28709156 0.80 KLKB1 (0.34) HTR2CAHRHTR2AHTR2BADRB1
SCHEMBL23920087 0.79 AHR (0.35) HTR2CAHRCA1CA2
SCHEMBL5245933 0.79 BRD4 (0.59) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 WO disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 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 (2 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-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 AKR1B1 2292/4885BRD4 1541/4885CREBBP 101/4885
US-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 AKR1B1 3440/4885BRD4 214/4885CREBBP 745/4885

“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.