SCHEMBL13792181

SCHEMBL13792181

C[C@@H]1[C@@H](C)CCC(=O)[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
SRD5A1 P18405 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GFER P55789 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
SLC18A3 Q16572 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MT-CO2 P00403 1/20 0.33
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL8327879 0.89 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1ALDH1A1GFERDDB1
SCHEMBL10726551 0.89 SMN1; SMN2 (0.42) SMN1; SMN2SRD5A1ALDH1A1GFERDDB1
SCHEMBL13476399 0.82 TDP1 (0.35) ALDH1A1DDB1CRBNMEN1KMT2A
SCHEMBL11475259 0.78 SLC18A3 (0.41) SMN1; SMN2SRD5A1ALDH1A1GFERDDB1
SCHEMBL9281446 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1ATMLMNAMEN1
SCHEMBL11304329 0.72 MAPT (0.43) SMN1; SMN2ALDH1A1DDB1CRBNATM
SCHEMBL8390909 0.70 MEN1 (0.50) SMN1; SMN2ALDH1A1DDB1CRBNLMNA
SCHEMBL7829172 0.70 MEN1 (0.50) SMN1; SMN2ALDH1A1DDB1CRBNLMNA
SCHEMBL10298882 0.70 SLC6A3 (0.41) LMNAMEN1KMT2A
SCHEMBL5221675 0.68 SLC6A2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544815-B2 Process for making hydroisoindoline tachykinin receptor antagonists MERCK & CO, INC. (US) 2009-06-09 US disclosed
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 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-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 SMN1; SMN2 2949/4885SRD5A1 1722/4885ALDH1A1 706/4885

“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.