SCHEMBL23980911

SCHEMBL23980911

Clc1ccc([C@@H]2COc3c(cccc3C3CCNCC3)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
HTR6 P50406 1/20 0.38
LTA4H P09960 10/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2C P28335 3/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL26913648 1.00 HTR3A (0.41) HTR3AHTR6LTA4HHTR1ASLC6A2
SCHEMBL27288020 1.00 HTR3A (0.41) HTR3AHTR6LTA4HHTR1ASLC6A2
Hydrochloric Acid SCHEMBL29394899 0.99 HTR3A (0.40) HTR3AHTR6LTA4HHTR1ASLC6A2
Hydrochloric Acid SCHEMBL25284422 0.99 HTR3A (0.40) HTR3AHTR6LTA4HHTR1ASLC6A2
Hydrochloric Acid SCHEMBL25236291 0.99 HTR3A (0.40) HTR3AHTR6LTA4HHTR1ASLC6A2
SCHEMBL23980840 0.89 SLC18A3 (0.45) LTA4HHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30275352 0.88 SLC18A3 (0.44) LTA4HHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL25405228 0.88 SLC18A3 (0.44) LTA4HHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23981032 0.84 LTA4H (0.40) LTA4H
SCHEMBL24320323 0.84 SLC6A2 (0.40) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393914-A1 IMIDAZOCYCLIC COMPOUND AND APPLICATION THEREOF Dongbao Purple Star (Hangzhou) Biopharmaceutical Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-12-07 US disclosed
US-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS SHOUTI INC. 2023-09-21 US disclosed
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 US disclosed
WO-2021219019-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-11-04 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 (3 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-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR HTR3A 114/4885HTR6 273/4885LTA4H 1095/4885
US-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR HTR3A 104/4885HTR6 255/4885LTA4H 831/4885
US-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR HTR3A 104/4885HTR6 255/4885LTA4H 831/4885

“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.