SCHEMBL3605904

SCHEMBL3605904

COCNC(=O)c1ccc2cnn(C3CCCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
S1PR1 P21453 2/20 0.42
PTGER3 P43115 2/20 0.42
PDE7A Q13946 1/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KHK P50053 1/20 0.40
BRD4 O60885 1/20 0.40
EZH2 Q15910 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7971124 0.83 ALDH1A1 (0.50) HTR1AHTR1BHTR1FHPGDALDH1A1
SCHEMBL7419168 0.79 HCAR3 (0.56) HTR1AHTR1BHTR1FPDE7AHPGD
SCHEMBL3605908 0.78 HTR1A (0.44) HTR1AHTR1BHTR1FPTGER3HPGD
SCHEMBL30040346 0.78 HTR1A (0.50) HTR1AHTR1BHTR1FPTGER3HPGD
SCHEMBL5836092 0.74 HPD (0.50) HPGDALDH1A1SMN1; SMN2
SCHEMBL30040860 0.73 HCAR3 (0.54) HTR1AHTR1BHTR1FPTGER3HPGD
SCHEMBL23467071 0.73 ALDH1A1 (0.50) HTR1AHTR1BHTR1FHPGDALDH1A1
SCHEMBL24338759 0.73 HTR1A (0.46) HTR1AHTR1BHTR1FHPGDALDH1A1
SCHEMBL5836237 0.71 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2A
SCHEMBL31403635 0.71 RPS6KB1 (0.48) HTR1AHTR1BHTR1FHPGDALDH1A1

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-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 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 (3 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 HTR1A 1094/4885HTR1B 703/4885HTR1F 543/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 HTR1A 1094/4885HTR1B 703/4885HTR1F 543/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 HTR1A 1094/4885HTR1B 703/4885HTR1F 543/4885

“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.