SCHEMBL1819631

SCHEMBL1819631

CCC(C)C(N)C(=O)NCCN1CCOCC1.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.90

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 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ MMP1 P03956 1/20 0.41

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
SCHEMBL1818338 1.00 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
Sulfuric Acid SCHEMBL1815849 0.97 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
Sulfuric Acid SCHEMBL29684494 0.97 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
Sulfuric Acid SCHEMBL19837752 0.97 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
Sulfuric Acid SCHEMBL19900361 0.97 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
Sulfuric Acid SCHEMBL1818768 0.97 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
Sulfuric Acid SCHEMBL31198220 0.97 TSHR (0.54) TSHRALDH1A1TDP1SMN1; SMN2MMP3
SCHEMBL27893120 0.96 TSHR (0.53) TSHRALDH1A1TDP1SMN1; SMN2MMP3
SCHEMBL1723696 0.95 TSHR (0.59) TSHRALDH1A1TDP1MMP3MMP9
SCHEMBL1723878 0.95 TSHR (0.59) TSHRALDH1A1TDP1MMP3MMP9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162177-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. 2022-05-26 — — US claimed
EP-3470402-B1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX INC (US) 2021-01-06 — — EP claimed
EP-3470402-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS Pharmatrophix Inc. (US) 2019-04-17 — — EP claimed
CN-108383804-A The crystal form of neurotrophin simulated compound and its salt 特罗菲克斯制药股份有限公司 2018-08-10 — — CN claimed
CN-104761515-A Crystalline forms of neurotrophin mimetic compounds and salts of same PHARMATROPHIX INC 2015-07-08 — — CN claimed
US-20130005731-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. (US) 2013-01-03 — — US claimed
CN-102740856-A Crystalline forms of neurotrophin mimetic compounds and salts thereof PHARMATROPHIX INC 2012-10-17 — — CN claimed
US-20220162177-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. 2022-05-26 — — US disclosed
US-11225467-B2 Crystalline forms of neurotrophin mimetic compounds and their salts PHARMATROPHIX, INC. (US) 2022-01-18 — — US disclosed
EP-3470402-B1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX INC (US) 2021-01-06 — — EP disclosed
US-20190263763-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. 2019-08-29 — — US disclosed
US-10273219-B2 Crystalline forms of neurotrophin mimetic compounds and their salts PHARMATROPHIX, INC. (US) 2019-04-30 — — US disclosed
EP-3470402-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS Pharmatrophix Inc. (US) 2019-04-17 — — EP disclosed
US-9271986-B2 Crystalline forms of neurotrophin mimetic compounds and their salts PHARMATROPHIX, INC. (US) 2016-03-01 — — US disclosed
CN-104761515-A Crystalline forms of neurotrophin mimetic compounds and salts of same PHARMATROPHIX INC 2015-07-08 — — CN disclosed
CN-102740856-B Crystalline forms of neurotrophin mimetic compounds and salts thereof PHARMATROPHIX INC 2015-02-18 — — CN disclosed
US-20130005731-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. (US) 2013-01-03 — — US disclosed
CN-102740856-A Crystalline forms of neurotrophin mimetic compounds and salts thereof PHARMATROPHIX INC 2012-10-17 — — CN disclosed
EP-2498782-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS Pharmatrophix Inc. (US) 2012-09-19 — — EP disclosed
WO-2011060262-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. (US) 2011-05-19 — — 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 (5 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-20220162177-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS BDNF, NGF, NTRK2 TSHR 971/4885ALDH1A1 4364/4885TDP1 1390/4885
US-11225467-B2 Crystalline forms of neurotrophin mimetic compounds and their salts BDNF, NGF, NTRK2 TSHR 971/4885ALDH1A1 4364/4885TDP1 1390/4885
US-20190263763-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS BDNF, NGF, NTRK2 TSHR 971/4885ALDH1A1 4364/4885TDP1 1390/4885
US-20130005731-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS BDNF, NGF, NTRK2 TSHR 885/4885ALDH1A1 4396/4885TDP1 1256/4885
US-10273219-B2 Crystalline forms of neurotrophin mimetic compounds and their salts BDNF, NGF, NTRK2 TSHR 971/4885ALDH1A1 4364/4885TDP1 1390/4885

“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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