SCHEMBL25406325

SCHEMBL25406325

C[C@H]1CNCCN1c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ HTR2C P28335 6/20 0.38
▸ HTR2A P28223 4/20 0.38
▸ HTR2B P41595 4/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ ROCK1 Q13464 3/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL25406327 1.00 GSK3B (0.39) GSK3BCHRM2CHRM1CHRM3HTR2C
SCHEMBL3016545 0.76 SLC6A2 (0.46) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL15160536 0.76 ALDH1A1 (0.44) NPC1RAB9APOLBAPEX1RECQL
SCHEMBL19540314 0.74 HPGD (0.50) NPC1RAB9APOLBAPEX1RECQL
SCHEMBL5797267 0.73 HTR2C (0.48) GSK3BHTR2CHTR2AHTR2BLATS1
SCHEMBL3015463 0.73 SLC6A4 (0.61) HTR2CHTR2AHTR2B
SCHEMBL11199899 0.73 L3MBTL1 (0.37) HTR2CHTR2AHTR2BL3MBTL1
Hydrochloric Acid SCHEMBL2892940 0.72 KDM4E (0.50) GSK3BHTR2CHTR2AHTR2BLATS1
Hydrochloric Acid SCHEMBL16235859 0.72 KDM4E (0.50) GSK3BHTR2CHTR2AHTR2BLATS1
SCHEMBL5371831 0.72 HTR2C (0.41) GSK3BHTR2CHTR2AHTR2BLATS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851435-B2 PTGR2 inhibitors and their use NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-12-26 — — US disclosed
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE NATIONAL TAIWAN UNIVERSITY (TW) 2023-09-07 — — 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-11851435-B2 PTGR2 inhibitors and their use PTGFR, PTGIR, PTGDR2 GSK3B 2581/4885CHRM2 468/4885CHRM1 648/4885
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE PTGFR, PTGIR, PTGDR2 GSK3B 2581/4885CHRM2 468/4885CHRM1 648/4885

“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.

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