SCHEMBL1740639

SCHEMBL1740639

CN1CCN(c2cccc(F)c2C=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA2C P18825 1/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
EGFR P00533 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL28327332 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL22092310 0.81 DRD2 (0.63) ALDH1A1DRD2DRD3HTR1ADRD4
SCHEMBL6227687 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL1163277 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL13382891 0.78 DRD2 (0.53) ALDH1A1SMN1; SMN2DRD2DRD3HSD17B10
SCHEMBL6435087 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2DRD2DRD3HSD17B10
SCHEMBL735202 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2DRD2DRD3HSD17B10
SCHEMBL8550773 0.77 DRD4 (0.55) ALDH1A1DRD2DRD3DRD4MAPT
SCHEMBL8253295 0.77 TP53 (0.48) ALDH1A1SMN1; SMN2HSD17B10MAPTKMT2A
SCHEMBL28452031 0.76 KMT2A (0.46) ALDH1A1MAPTKMT2ALMNAMAPK1

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 33 patents — showing the first 20. 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
EP-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
CN-1239497-C Intermediate product for preparing aralkyl and aryl alkylene heterocyclic lactam and imide PFIZER (US) 2006-02-01 CN disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US disclosed
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC. 2005-10-13 US disclosed
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC 2005-10-13 US disclosed
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. 2002-07-11 US disclosed
WO-2002046167-A1 BENZYL (IDENE)-LACTAMS AND THEIR USE AS 5HT1-RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2002-06-13 WO disclosed
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER INC. 2002-06-13 US disclosed
US-6403592-B1 SEROTONIN REUPTAKE INHIBITORS PFIZER INC 2002-06-11 US disclosed
US-6380186-B1 PSYCHOTHERAPEUTIC AGENTS PFIZER INC 2002-04-30 US disclosed
US-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides PFIZER PRODUCTS INC. 2002-04-25 US disclosed
CN-1329002-A Intermediate product for preparing aralkyl and aryl alkylene heterocyclic lactam and imide PFIZER (US) 2002-01-02 CN disclosed
CN-1231661-A Lactams and imides of aralkyl and arylalkylene heterocycles PFIZER (US) 1999-10-13 CN disclosed
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 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 (6 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-20020049214-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ALDH1A1 1434/4885SMN1; SMN2 2469/4885DRD2 84/4885
US-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A ALDH1A1 411/4885SMN1; SMN2 2257/4885DRD2 69/4885
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 ALDH1A1 1132/4885SMN1; SMN2 2882/4885DRD2 166/4885
US-20020072519-A1 Aralkyl and aralkylidene heterocyclic lactams and imides MRPL21, ARAF, ARL1 ALDH1A1 1607/4885SMN1; SMN2 2396/4885DRD2 94/4885
US-20020091117-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES MRPL21, ARAF, ARL1 ALDH1A1 1607/4885SMN1; SMN2 2396/4885DRD2 94/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 ALDH1A1 1132/4885SMN1; SMN2 2882/4885DRD2 166/4885

“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.