SCHEMBL3105300

SCHEMBL3105300

CCCN(c1c(OC)nn2c(-c3c(Cl)cc(COC)cc3OC)csc12)C1CCOCC1.CS(=O)(=O)O

nearest known ligand 0.91

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.91

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
SCHEMBL3107744 0.96 CRHR1 (1.00) CRHR1
SCHEMBL3102518 0.91 CRHR1 (1.00) CRHR1
SCHEMBL3105317 0.91 CRHR1 (0.87) CRHR1
Hydrochloric Acid SCHEMBL3110367 0.90 CRHR1 (0.98) CRHR1
SCHEMBL1614366 0.88 CRHR1 (1.00) CRHR1
SCHEMBL1614465 0.86 CRHR1 (1.00) CRHR1
SCHEMBL3101044 0.86 CRHR1 (1.00) CRHR1
SCHEMBL1613859 0.86 CRHR1 (0.91) CRHR1
Bromide SCHEMBL3238098 0.86 CRHR1 (0.98) CRHR1
SCHEMBL3104922 0.86 CRHR1 (0.95) CRHR1

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-8431603-B2 3-phenylpyrazolo[5,1-b]thiazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-30 US disclosed
EP-2266990-A1 3-PHENYLPYRAZOLOÝ5,1-b¨THIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-12-29 EP disclosed
US-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-10-15 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 (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-20090259049-A1 3-PHENYLPYRAZOLO[5,1-b]THIAZOLE COMPOUNDS CRHR1, AGTR1, CRHR2 CRHR1 1/4885

“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.