SCHEMBL1738817

SCHEMBL1738817

CC1CN(c2ccccc2/C=C2\CCNC2=O)C(C)CN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
HTR2A P28223 2/20 0.37
PIM1 P11309 8/20 0.34
PIM2 Q9P1W9 8/20 0.34
PIM3 Q86V86 4/20 0.33
HDAC1 Q13547 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRF1 P14222 1/20 0.31
PDE4B Q07343 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
SCHEMBL1738818 1.00 HTR2C (0.37) HTR2CHTR2BHTR2APIM1PIM2
SCHEMBL1738842 0.79 HTR2C (0.41) HTR2CHTR2BHTR2APIM1PIM2
SCHEMBL1738744 0.78 MEN1 (0.39) PIM1PIM2PIM3PDPK1PARP1
SCHEMBL1738745 0.78 MEN1 (0.39) PIM1PIM2PIM3PDPK1PARP1
SCHEMBL1738047 0.73 KMT2A (0.57) HTR2CHTR2APIM1PIM2PIM3
SCHEMBL1738048 0.73 KMT2A (0.57) HTR2CHTR2APIM1PIM2PIM3
SCHEMBL1738746 0.70 MEN1 (0.43) PIM1PIM2PIM3MEN1KMT2A
SCHEMBL4559231 0.70 MEN1 (0.43) PIM1PIM2PIM3MEN1KMT2A
SCHEMBL27686596 0.70 PIM1 (0.36) PIM1PIM2PIM3MEN1KMT2A
SCHEMBL13999774 0.70 SIGMAR1 (0.42) HTR2CHTR2BHTR2APIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 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 (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-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A HTR2C 13/4885HTR2B 11/4885HTR2A 16/4885

“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.