SCHEMBL5745894

SCHEMBL5745894

CC(C)c1ccc(N2CCOC(Cc3ccccc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 6/20 0.39
BRPF1 P55201 3/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
NCF1 P14598 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR6 P50406 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
BRD4 O60885 2/20 0.36
MC4R P32245 1/20 0.35
GRM2 Q14416 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 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
Hydrochloric Acid SCHEMBL6408358 0.99 BRD9 (0.38) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5753113 0.91 HTR3A (0.39) BRD9BRPF1HTR1ADRD2HTR2A
Citric Acid SCHEMBL6405366 0.90 MC4R (0.34) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5738996 0.88 MAPK1 (0.41) BRD9BRPF1HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL6411202 0.87 POLB (0.40) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5738547 0.86 MEN1 (0.39) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5592486 0.86 DRD2 (0.39) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5611716 0.86 DRD2 (0.39) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5592512 0.86 DRD2 (0.39) BRD9BRPF1HTR1ADRD2DRD4
SCHEMBL5740857 0.85 FPR2 (0.41) BRD9BRPF1HTR1ADRD2DRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC. 2005-10-13 US claimed
US-20050227981-A1 Aralkyl and aralkylidene heterocyclic lactam and imides PFIZER INC 2005-10-13 US claimed
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 BRD9 1815/4885BRPF1 3473/4885HTR1A 1156/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 BRD9 1815/4885BRPF1 3473/4885HTR1A 1156/4885

“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.