SCHEMBL4832341

SCHEMBL4832341

CC1CN(C(=O)O)CC(C)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
MAPT P10636 1/20 0.46
CHRM1 P11229 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
DRD2 P14416 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FUCA1 P04066 2/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL14590487 0.89 BRD4 (0.54) BRD4MAPTCHRM1HDAC1HDAC6
SCHEMBL20420975 0.82 PLA2G1B (0.52) MAPTHDAC1HDAC6ALDH1A1HPGD
SCHEMBL17078817 0.82 HDAC1 (0.42) BRD4CHRM1HDAC1HDAC6ALDH1A1
SCHEMBL3151938 0.81 KMT2A (0.49) BRD4MAPTPDK1PDK2PDK3
SCHEMBL3151932 0.81 KMT2A (0.49) BRD4MAPTPDK1PDK2PDK3
SCHEMBL17086784 0.81 KMT2A (0.49) BRD4MAPTPDK1PDK2PDK3
SCHEMBL4874283 0.80 CHRM2 (0.49) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL3322121 0.80 CHRM1 (0.55) BRD4MAPTCHRM1ALDH1A1PDK1
SCHEMBL20421124 0.79 PLA2G1B (0.46) MAPTHDAC1HDAC6ALDH1A1HPGD
SCHEMBL17078693 0.79 NCF1 (0.51) BRD4HDAC1HDAC6ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 BRD4 1126/4885MAPT 3170/4885CHRM1 1309/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 BRD4 1126/4885MAPT 3170/4885CHRM1 1309/4885

“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.