SCHEMBL5753113

SCHEMBL5753113

CC(C)c1ccc2cc(N3CCOC(Cc4ccccc4N4CCN(C)CC4)C3=O)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTR6 P50406 5/20 0.36
HTR2C P28335 3/20 0.36
BRPF1 P55201 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A3 Q01959 6/20 0.35
HTR1A P08908 3/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
NCF1 P14598 1/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5745894 0.91 BRD9 (0.39) LMNATP53HTR6HTR2CBRPF1
Hydrochloric Acid SCHEMBL6408358 0.90 BRD9 (0.38) LMNATP53HTR6HTR2CBRPF1
SCHEMBL5740817 0.86 HTR3A (0.37) HTR3AHTR6HTR2CBRPF1BRD9
Citric Acid SCHEMBL6405366 0.81 MC4R (0.34) LMNATP53HTR6HTR2CBRPF1
SCHEMBL5738996 0.81 MAPK1 (0.41) LMNAHTR6HTR2CBRPF1BRD9
Hydrochloric Acid SCHEMBL6411202 0.80 POLB (0.40) HTR6HTR2CBRPF1BRD9SLC6A2
SCHEMBL5592512 0.79 DRD2 (0.39) HTR2CBRPF1BRD9SLC6A2SLC6A4
SCHEMBL5611716 0.79 DRD2 (0.39) HTR2CBRPF1BRD9SLC6A2SLC6A4
SCHEMBL5738547 0.79 MEN1 (0.39) HTR2CBRPF1BRD9SLC6A2SLC6A4
SCHEMBL5592486 0.79 DRD2 (0.39) HTR2CBRPF1BRD9SLC6A2SLC6A4

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 HTR3A 2526/4885LMNA 2528/4885TP53 4831/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 HTR3A 2526/4885LMNA 2528/4885TP53 4831/4885

“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.