SCHEMBL7778101

SCHEMBL7778101

CCC(C)(C)NCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.33
ADRB3 P13945 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ACHE P22303 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27364779 0.83 BCHE (0.33) BCHEADRB3ADRB2ADRB1ACHE
SCHEMBL20698362 0.80
SCHEMBL12423880 0.79 TSHR (0.43) BCHEADRB3ADRB2ADRB1ACHE
SCHEMBL8845694 0.79 BCHE (0.31) BCHEADRB3
SCHEMBL7775227 0.79
SCHEMBL7775279 0.79 BCHE (0.31) BCHEADRB3TSHR
SCHEMBL12423948 0.79 TSHR (0.43) BCHEADRB3ADRB2ADRB1ACHE
SCHEMBL5177835 0.78 ADH1B (0.31) ADH1BADH1CADH1ATSHRTDP1
SCHEMBL12039743 0.78 ADH1B (0.31) ADH1BADH1CADH1A
SCHEMBL15442709 0.77 BCHE (0.32) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-09 US disclosed
WO-2023209086-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
US-9676964-B1 Visible light activated aqueous based self-decontaminating coating composition LOMBARDI JOHN L (US) 2017-06-13 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US disclosed
CN-101687988-A Polybenzazole and polybenzazole precursor TEIJIN ARAMID BV 2010-03-31 CN disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A BCHE 3672/4885ADRB3 4527/4885ADRB2 4368/4885
US-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, TMEM109 BCHE 3452/4885ADRB3 356/4885ADRB2 294/4885

“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.