SCHEMBL3053407

SCHEMBL3053407

O=C1CCCC2CCCCC2N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CRBN Q96SW2 2/20 0.35
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.32
OR51E2 Q9H255 1/20 0.32
FKBP5 Q13451 1/20 0.31
PARP1 P09874 1/20 0.31
SRD5A1 P18405 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL432190 0.98 MAPT (0.35) ALDH1A1PKMLMNATSHRCRBN
SCHEMBL432189 0.98 MAPT (0.35) ALDH1A1PKMLMNATSHRCRBN
SCHEMBL17338063 0.95 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHRCRBN
SCHEMBL9517429 0.95 CRBN (0.35) ALDH1A1PKMLMNATSHRCRBN
SCHEMBL6652266 0.93 KMT2A (0.35) ALDH1A1PKMLMNATSHRCRBN
SCHEMBL5567030 0.91 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHROPRM1
SCHEMBL6638258 0.91 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHROPRM1
SCHEMBL3046579 0.91 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHROPRM1
SCHEMBL8465326 0.91 ALDH1A1 (0.36) ALDH1A1PKMLMNATSHROPRM1
SCHEMBL9733421 0.89 MAPT (0.35) ALDH1A1PKMLMNATSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US claimed
US-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
EP-2166854-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156580-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-4141894-A ANALGESICS, ANTAGONISTS ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed
US-4003907-A Δ1 -1-Azacycloalkene-2-carboxylic acids and their production BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 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-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, PSEN1, PSEN2 ALDH1A1 818/4885PKM 1729/4885LMNA 3042/4885

“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.