SCHEMBL4689592

SCHEMBL4689592

CN(C1CCCCC1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.39
ADH1C P00326 3/20 0.39
FAAH O00519 1/20 0.35
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HRH4 Q9H3N8 1/20 0.31
ADH1B P00325 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL11465448 1.00 ADH1A (0.39) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL8598786 1.00 ADH1A (0.39) ADH1AADH1CFAAHPHGDHMGLL
Hydrochloric Acid SCHEMBL14634438 0.98 ADH1A (0.38) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL28136187 0.82 LMNA (0.37) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL28698139 0.76 CHRNB2 (0.30)
SCHEMBL19465567 0.76
SCHEMBL11475035 0.74 FAAH (0.33) ADH1AADH1CFAAHPHGDHMGLL
SCHEMBL29637669 0.74 ADH1A (0.33) ADH1AADH1CPHGDHALDH1A1LMNA
SCHEMBL9651538 0.74 ADH1A (0.33) ADH1AADH1CPHGDHALDH1A1LMNA
N-Methyl Pyrrolidine (Nmp) SCHEMBL9782767 0.68 ADH1C (0.38) ADH1AADH1CFAAHPHGDHMGLL

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
CN-103664973-B Spiro-oxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-19 CN disclosed
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
EP-1727812-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
WO-2005087761-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (3 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-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 ADH1A 3766/4885ADH1C 3522/4885FAAH 3531/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ADH1A 762/4885ADH1C 297/4885FAAH 2356/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ADH1A 762/4885ADH1C 297/4885FAAH 2356/4885

“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.