SCHEMBL2877988

SCHEMBL2877988

C1CCC(NC2CCNC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KCNH2 Q12809 1/20 0.46
EPHX1 P07099 2/20 0.43
KDM1A O60341 4/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ADH7 P40394 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CISD1 Q9NZ45 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
ADH4 P08319 1/20 0.32

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
SCHEMBL2878079 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
SCHEMBL2877987 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
Hydrochloric Acid SCHEMBL2868834 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
Hydrochloric Acid SCHEMBL2868836 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
SCHEMBL5827271 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
SCHEMBL3813652 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
Hydrochloric Acid SCHEMBL2875182 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
SCHEMBL5808030 0.95 KCNH2 (0.46) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
SCHEMBL21425605 0.95 KCNH2 (0.46) ALDH1A1HSD17B10KCNH2EPHX1KDM1A
Hydrochloric Acid SCHEMBL31209185 0.93 KCNH2 (0.45) ALDH1A1HSD17B10KCNH2EPHX1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP claimed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-28 US disclosed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
US-8410100-B2 Pteridinone derivatives as PI3-kinases inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 EP disclosed
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 ALDH1A1 1492/4885HSD17B10 152/4885KCNH2 2785/4885
US-20100099680-A1 PTERIDINONE DERIVATIVES AS P13-KINASES INHIBITORS PIK3CA, PDPK1, PIK3C3 ALDH1A1 2879/4885HSD17B10 4053/4885KCNH2 1980/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ALDH1A1 1683/4885HSD17B10 2817/4885KCNH2 3034/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 ALDH1A1 1492/4885HSD17B10 152/4885KCNH2 2785/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 ALDH1A1 1492/4885HSD17B10 152/4885KCNH2 2785/4885

“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.