SCHEMBL5737672

SCHEMBL5737672

CC(C)(C)c1ccc(CN2CCOCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
PER2 O15055 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK2 O60674 1/20 0.40
MAOB P27338 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM2 Q14416 1/20 0.39
PRKDC P78527 2/20 0.39
TEAD1 P28347 2/20 0.38
HTT P42858 1/20 0.38
METAP2 P50579 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL13299412 0.83 SMN1; SMN2 (0.49) POLBALDH1A1MEN1KMT2AJAK2
SCHEMBL20425267 0.81 JAK2 (0.43) PER2JAK2GRM2
SCHEMBL23269469 0.80 KMT2A (0.46) HDAC6ALDH1A1MEN1KMT2AJAK2
SCHEMBL8325711 0.80 GRM2 (0.54) POLBPER2ALDH1A1MEN1KMT2A
SCHEMBL79013 0.80 GRM2 (0.43) ALDH1A1JAK2GRM2
SCHEMBL20249207 0.80 CYP11B2 (0.40) PER2JAK2GRM2
SCHEMBL1553262 0.80 L3MBTL1 (0.54) POLBSIGMAR1KCNH2MEN1KMT2A
SCHEMBL3326531 0.79 SMN1; SMN2 (0.59) POLBSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL19501381 0.79 FKBP1A (0.47) KCNH2ALDH1A1KMT2AJAK2RAB9A
SCHEMBL25835166 0.79 JAK2 (0.42) JAK2MAPK1GRM2SMN1; SMN2

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-1697353-A2 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS WITH AFFINITY FOR 5-HT1 RECEPTORS Pfizer Products Incorporated (US) 2006-09-06 EP 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-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 (2 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-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 POLB 4216/4885SIGMAR1 504/4885PER2 4197/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 POLB 4216/4885SIGMAR1 504/4885PER2 4197/4885

“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.