SCHEMBL5737828

SCHEMBL5737828

CC1CC(c2ccc(N3CCOC(Cc4ccccc4N4CCN(C)CC4)C3=O)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
BRD9 Q9H8M2 10/20 0.34
BRD4 O60885 4/20 0.34
BRPF1 P55201 3/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
HDAC4 P56524 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BRD7 Q9NPI1 2/20 0.33
ADRA2C P18825 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL5738547 0.91 MEN1 (0.39) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5740445 0.90 MEN1 (0.44) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5738194 0.86 MEN1 (0.36) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5738996 0.85 MAPK1 (0.41) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5738794 0.85 DRD2 (0.36) NCF1BRD9BRD4BRPF1HTR1A
Hydrochloric Acid SCHEMBL6411202 0.84 POLB (0.40) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5745894 0.83 BRD9 (0.39) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5611716 0.83 DRD2 (0.39) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5592512 0.83 DRD2 (0.39) NCF1BRD9BRD4BRPF1HTR1A
SCHEMBL5592486 0.83 DRD2 (0.39) NCF1BRD9BRD4BRPF1HTR1A

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 NCF1 4357/4885BRD9 1815/4885BRD4 2842/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 NCF1 4357/4885BRD9 1815/4885BRD4 2842/4885

“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.