SCHEMBL4395909

SCHEMBL4395909

CC(C)(C)OC(=O)N(Cc1cccc(C2CCNCC2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.44
▸ TACR1 P25103 4/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ NMT1 P30419 1/20 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
SCHEMBL16343354 0.89 CETP (0.42) HTR2CSLC6A4
SCHEMBL4406792 0.83 JAK2 (0.41) —
SCHEMBL301842 0.79 BRD4 (0.47) HTR2CTLR2
SCHEMBL4410405 0.79 MAPT (0.48) TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL3933418 0.79 MEN1 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL22634069 0.79 HTR2C (0.46) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2034724 0.78 BRD4 (0.46) HTR2CTLR2
SCHEMBL28801811 0.76 BRD4 (0.47) HTR2CTLR2
Acetic Acid SCHEMBL973925 0.76 BRD4 (0.45) HTR2C
SCHEMBL27741862 0.75 HTR2C (0.45) HTR2CSLC18A3SIGMAR1HTR6TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 — — EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 — — US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 — — US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — 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 (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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 HTR2C 267/4885TACR1 289/4885SLC18A3 693/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 HTR2C 267/4885TACR1 289/4885SLC18A3 693/4885

“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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