SCHEMBL7580833

SCHEMBL7580833

CN(CCCO)C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRIN2B Q13224 2/20 0.32
MAPT P10636 1/20 0.32
LSS P48449 2/20 0.32
SLC18A3 Q16572 1/20 0.32
CCR4 P51679 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.31
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL9949604 0.98 HRH4 (0.37) HRH4HRH3GRIN2BLSSSLC18A3
SCHEMBL17743426 0.96 HRH4 (0.40) HRH4HRH3MAPTSLC18A3KMT2A
SCHEMBL1131900 0.96 HRH4 (0.40) HRH4HRH3MAPTSLC18A3KMT2A
SCHEMBL17743406 0.93 LSS (0.34) HRH4HRH3GRIN2BMAPTLSS
SCHEMBL13306227 0.93
SCHEMBL16822366 0.91 HRH4 (0.36) HRH4HRH3GRIN2BLSSSLC18A3
SCHEMBL11064526 0.89 HRH4 (0.39) HRH4HRH3LSSSLC18A3KMT2A
SCHEMBL17743437 0.89 HRH4 (0.39) HRH4HRH3LSSSLC18A3KMT2A
SCHEMBL17743439 0.89 HRH4 (0.39) HRH4HRH3LSSSLC18A3KMT2A
SCHEMBL11067339 0.87 SIGMAR1 (0.41) HRH4HRH3LSSKMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-11-30 US disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-3020464-B1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS TOSHIBA KK (JP) 2019-10-02 EP disclosed
CN-105597492-B The removing method and sour gas removing device of acid gas absorbent, sour gas 株式会社东芝 2018-11-16 CN disclosed
US-9446346-B2 Acidic gas absorbing agent, method for removing acidic gas and apparatus for removing acidic gas KABUSHIKI KAISHA TOSHIBA (JP) 2016-09-20 US disclosed
CN-105597492-A Acidic gas absorbing agent, method for removing acidic gas and apparatus for removing acidic gas TOSHIBA KK 2016-05-25 CN disclosed
US-20160136568-A1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS KABUSHIKI KAISHA TOSHIBA (JP) 2016-05-19 US disclosed
EP-3020464-A1 ACIDIC GAS ABSORBING AGENT, METHOD FOR REMOVING ACIDIC GAS AND APPARATUS FOR REMOVING ACIDIC GAS Kabushiki Kaisha Toshiba (JP) 2016-05-18 EP disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 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 (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-20230382925-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HRH4 2334/4885HRH3 4443/4885GRIN2B 4510/4885

“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.