SCHEMBL1740174

SCHEMBL1740174

CN1CCN(c2ccc(F)cc2C=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 2/20 0.46
MCL1 Q07820 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.43
WDR5 P61964 2/20 0.43
GAA P10253 1/20 0.42
NOTUM Q6P988 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL28464943 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL1738349 0.82 MAPT (0.47) ALDH1A1L3MBTL1POLBHTR3ASMN1; SMN2
SCHEMBL3686814 0.81 HTT (0.44) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL2558915 0.81 MAPT (0.59) ALDH1A1L3MBTL1POLBLMNAKDM4E
SCHEMBL31486883 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1POLBSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5913628 0.79 KDR (0.49) ALDH1A1HTR3ALMNAKDM4EHSD17B10
SCHEMBL1740761 0.78 ERN1 (0.49) ALDH1A1L3MBTL1HTR3EHTR3BHTR3A
SCHEMBL31618922 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2LMNATP53IDO1
SCHEMBL5913105 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2LMNATP53IDO1
SCHEMBL6924885 0.78 ALDH1A1 (0.69) ALDH1A1L3MBTL1POLBHTR3EHTR3B

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 7 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
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 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-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A ALDH1A1 411/4885L3MBTL1 1098/4885POLB 2510/4885

“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.