SCHEMBL6745162

SCHEMBL6745162

CC(=O)N1CCN(C(N)=O)c2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.55
HSD17B3 P37058 9/20 0.50
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
AVPR1A P37288 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL6747926 0.81 NOTUM (0.58) NOTUMHSD17B3ALDH1A1NAMPT
SCHEMBL7730094 0.76 NOTUM (0.55) NOTUMHSD17B3ALDH1A1NAMPT
SCHEMBL43169 0.75 NOTUM (0.68) NOTUMALDH1A1LMNA
SCHEMBL29443491 0.75 NOTUM (0.68) NOTUMALDH1A1LMNA
SCHEMBL27868440 0.75 HSD17B3 (0.46) NOTUMHSD17B3ALDH1A1LMNANAMPT
Hydrochloric Acid SCHEMBL5573069 0.74 NOTUM (0.66) NOTUMALDH1A1LMNA
Hydrochloric Acid SCHEMBL29858239 0.74 NOTUM (0.66) NOTUMALDH1A1LMNA
SCHEMBL6745020 0.73 NOTUM (0.52) NOTUMHSD17B3AVPR1ANAMPT
SCHEMBL9140516 0.73 HSD17B3 (0.63) NOTUMHSD17B3
SCHEMBL3120560 0.72 SMN1; SMN2 (0.74) NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 EP disclosed
US-6784172-B2 ACYLATION OF 1,4-BENZODIAZEPINES, FOLLOWED BY NITROSATION, REDUCTION, IMINATION WITH A CYCLOPENTANONE, CYCLIZATION, REDUCTION AND DEACYLATION WYETH 2004-08-31 US disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 EP disclosed
WO-2002042304-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH (US) 2002-05-30 WO disclosed
US-20020062022-A1 Processes for preparation of cyclopenta [b] [1,4] diazepino [6,7,1-hi] indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-23 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-20020062022-A1 Processes for preparation of cyclopenta [b] [1,4] diazepino [6,7,1-hi] indoles and derivatives AHR, HTR1A, IDO1 NOTUM 4153/4885HSD17B3 835/4885ALDH1A1 334/4885

“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.