SCHEMBL1737771

SCHEMBL1737771

CC1CN(c2ccccc2C=O)CC(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GHSR Q92847 10/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
MC4R P32245 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL28994744 0.84 MEN1 (0.44) HTTMEN1KMT2ALMNATHRB
SCHEMBL15533224 0.82 ALDH1A1 (0.45) LMNAALDH1A1MC4RHTR2C
SCHEMBL1591561 0.79 GAA (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL1591563 0.79 GAA (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL1738994 0.79 KMT2A (0.40) HTTMEN1KMT2ALMNATHRB
SCHEMBL13537624 0.78 ALDH1A1 (0.42) HTTMEN1KMT2ALMNATHRB
SCHEMBL2389965 0.77 LMNA (0.44) HTTMEN1KMT2ALMNATHRB
SCHEMBL28994737 0.77 LMNA (0.44) HTTMEN1KMT2ALMNATHRB
SCHEMBL28994750 0.77 LMNA (0.44) HTTMEN1KMT2ALMNATHRB
SCHEMBL16585816 0.77 ADRB1 (0.52) HTTMEN1KMT2ALMNAGHSR

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 11 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
EP-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP 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
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 WO disclosed
WO-2005061491-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS PFIZER PRODUCTS INC. (US) 2005-07-07 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 (3 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 HTT 3577/4885MEN1 1903/4885KMT2A 3466/4885
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 HTT 3757/4885MEN1 984/4885KMT2A 1580/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 HTT 3757/4885MEN1 984/4885KMT2A 1580/4885

“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.