SCHEMBL104547

SCHEMBL104547

CCN(C(C)C)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.40
ADH1C P00326 4/20 0.40
ADH1B P00325 1/20 0.40
SHBG P04278 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TSHR P16473 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
SCHEMBL4570869 0.98 ADH1A (0.43) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL13503176 0.98 ADH1A (0.43) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL12890106 0.97 ADH1A (0.37) ADH1AADH1CADH1B
SCHEMBL12744952 0.90
SCHEMBL20445569 0.86
SCHEMBL13503186 0.82 SLC6A2 (0.42)
SCHEMBL17914491 0.81 ADH1A (0.45) ADH1AADH1CADH1B
SCHEMBL11798406 0.81 ADH1A (0.38) ADH1AADH1CADH1BALDH1A1NPSR1
SCHEMBL14175039 0.81
SCHEMBL13301673 0.80 ADH1A (0.45) ADH1AADH1CADH1BSHBGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696953-B2 Poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-11 US disclosed
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
WO-2020086965-A9 POLYMER-LIPIDS AND COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-07-16 WO disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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 (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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ADH1A 2548/4885ADH1C 3254/4885ADH1B 2478/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ADH1A 4327/4885ADH1C 4366/4885ADH1B 4431/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT ADH1A 3056/4885ADH1C 3227/4885ADH1B 935/4885
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS CDK6, ESR1, CDK4 ADH1A 3133/4885ADH1C 3815/4885ADH1B 2115/4885
US-11696953-B2 Poly(beta-amino esters) and uses thereof BCAT1, BCAT2, SNRPE ADH1A 3555/4885ADH1C 4511/4885ADH1B 3967/4885

“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.