SCHEMBL27076402

SCHEMBL27076402

O=C1Nc2c(F)cccc2CS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
SRD5A1 P18405 2/20 0.36
PDE7A Q13946 1/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL261018 0.72 AHR (0.61) HTR5ACA12CA1CA2CA4
SCHEMBL2675583 0.70 SRD5A1 (0.57) HTR5AMAPTCA12CA1CA2
SCHEMBL30672071 0.70 HTR5A (0.42) HTR5ACA12CA1CA2CA4
SCHEMBL29961030 0.69 AHR (0.50) ALDH1A1MAPTATML3MBTL1MGAM
SCHEMBL9701046 0.69 AHR (0.50) ALDH1A1MAPTATML3MBTL1MGAM
Hydrochloric Acid SCHEMBL30293224 0.69 SRD5A1 (0.55) HTR5AMAPTCA12CA1CA2
SCHEMBL19301990 0.69 CA12 (0.45) HTR5ACA12CA1CA2CA4
SCHEMBL11275562 0.68 MAOA (0.41) ALDH1A1MAPTMGAMGAASI
SCHEMBL22469447 0.68 MAPT (0.53) HTR5AALDH1A1MAPTCA12CA1
SCHEMBL29961055 0.68 HTR5A (0.44) HTR5ACA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-06-27 US disclosed
EP-4313041-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B Novartis AG (CH) 2024-02-07 EP disclosed
CN-117157072-A Novel cyclopento [ c ] pyrrole NR2B negative allosteric modulators 诺华股份有限公司 2023-12-01 CN disclosed
WO-2022204336-A1 NOVEL CYCLOPENTAL[C]PYRROL NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2022-09-29 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-20240208953-A1 \"Cyclopenta[c]pyrrol Negative Allosteric Modulators of NR2B\ GRIN2C, GRIN2B, GRIN2A HTR5A 215/4885ALDH1A1 3460/4885MAPT 1280/4885

“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.