SCHEMBL6066100

SCHEMBL6066100

C=CCC1NCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRCP P42785 3/20 0.39
SLC22A1 O15245 1/20 0.39
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PNMT P11086 2/20 0.36

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
SCHEMBL6065276 0.83 PRCP (0.59) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL30167262 0.83 PRCP (0.59) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL14304629 0.82 PRCP (0.39) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL1167895 0.79 PRCP (0.42) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL3111967 0.77 PRCP (0.43) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL9114293 0.77 PRCP (0.36) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL9114302 0.77 PRCP (0.36) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL27896744 0.76 PRCP (0.40) ALDH1A1KDM4EPRCPSLC22A1MAPT
SCHEMBL13662985 0.76 CYP2D6 (0.38) ALDH1A1KDM4EPRCPMAPTMAPK1
SCHEMBL24639493 0.76 PRCP (0.42) ALDH1A1KDM4EPRCPSLC22A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 CN claimed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 CN disclosed
CN-110156660-A A kind of isoindoline analog derivative and preparation method thereof 广东工业大学 2019-08-23 CN disclosed
US-9120818-B2 Process and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed
EP-2651884-A2 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS Merck Sharp & Dohme Corp. (US) 2013-10-23 EP disclosed
US-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. 2013-10-17 US disclosed
WO-2012082672-A2 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2012-06-21 WO disclosed
EP-1706466-A2 COATING COMPOSITIONS, THEIR PREPARATION, AND COATED ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2006-10-04 EP disclosed
WO-2005118731-A2 COATING COMPOSITIONS, THEIR PREPARATION, AND COATED ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2005-12-15 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-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS EMG1, MRPS18B, MLN HTR1A 2608/4885ALDH1A1 3301/4885KDM4E 2210/4885

“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.