SCHEMBL1803451

SCHEMBL1803451

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)COCc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GRM5 P41594 11/20 0.43
TACR1 P25103 1/20 0.38
CYP2D6 P10635 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL1800968 0.87 CYP3A4 (0.41) ALDH1A1CYP2D6
SCHEMBL1798796 0.85 KMT2A (0.37) ALDH1A1
SCHEMBL1803072 0.85 GRM5 (0.48) ALDH1A1GRM5TACR1CYP2D6
SCHEMBL1803052 0.83 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL1801173 0.83 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1798595 0.82 LMNA (0.46) ALDH1A1
SCHEMBL1800500 0.81 MEN1 (0.41) ALDH1A1
SCHEMBL2940845 0.81 GRM5 (0.47) ALDH1A1GRM5
SCHEMBL1800768 0.81 KMT2A (0.43) ALDH1A1CYP2D6
SCHEMBL1801813 0.80 CYP2C9 (0.49) ALDH1A1TACR1

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
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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 (1 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 ALDH1A1 2780/4885GRM5 1216/4885TACR1 560/4885

“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.