SCHEMBL5740603

SCHEMBL5740603

Cc1cc(N2CCOC(Cc3ccccc3N3CCN(C)CC3)C2=O)ccc1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NCF1 P14598 1/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
TMEM97 Q5BJF2 2/20 0.35
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
BRD9 Q9H8M2 4/20 0.33
BRD4 O60885 3/20 0.33
BRPF1 P55201 2/20 0.33
BRD7 Q9NPI1 2/20 0.33
ATM Q13315 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
SCHEMBL5740445 0.86 MEN1 (0.44) MEN1POLBKMT2ANCF1HTR1A
SCHEMBL5738547 0.82 MEN1 (0.39) MEN1POLBKMT2ANCF1HTR1A
SCHEMBL5738996 0.80 MAPK1 (0.41) POLBKMT2ANCF1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL6411202 0.80 POLB (0.40) POLBNCF1HTR1ASLC6A2SLC6A4
SCHEMBL5592512 0.79 DRD2 (0.39) NCF1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5592486 0.79 DRD2 (0.39) NCF1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5745894 0.79 BRD9 (0.39) KMT2ANCF1HTR1ASLC6A2SLC6A4
SCHEMBL5611716 0.79 DRD2 (0.39) NCF1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5739359 0.79 NCF1 (0.36) MEN1KMT2ANCF1HTR1ASLC6A2
SCHEMBL5737828 0.78 NCF1 (0.35) MEN1POLBKMT2ANCF1HTR1A

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 MEN1 984/4885POLB 4216/4885KMT2A 1580/4885
US-20050227980-A1 Aralkyl and aralkylidene heterocyclic lactam and imides ARAF, MRPL21, ACSL3 MEN1 984/4885POLB 4216/4885KMT2A 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.