SCHEMBL432630

SCHEMBL432630

O=C1Nc2cccc(F)c2CCC1I

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.39
DDB1 Q16531 3/20 0.39
HTR5A P47898 1/20 0.39
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
SRD5A1 P18405 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
IKBKB O14920 1/20 0.32
MAPK1 P28482 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
BRPF1 P55201 1/20 0.31

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
SCHEMBL9024315 0.81 DRD2 (0.44) CRBNDDB1HTR5ADRD2DRD3
SCHEMBL22469572 0.81 CRBN (0.39) CRBNDDB1HTR5ADRD2DRD3
SCHEMBL30635206 0.77 HTR2C (0.31) CRBNDDB1
SCHEMBL27001910 0.77 HTR2C (0.31) CRBNDDB1
SCHEMBL15368226 0.75 DDB1 (0.35) CRBNDDB1HTR5ADRD2DRD3
SCHEMBL22469835 0.75 CRBN (0.49) CRBNDDB1
SCHEMBL7086240 0.73 NPC1 (0.52) CRBNKDM4EALDH1A1GAAMAPT
SCHEMBL3723532 0.73 SRD5A1 (0.57) CRBNDDB1HTR5ASRD5A1MAPT
SCHEMBL29961206 0.73 SRD5A1 (0.57) CRBNDDB1HTR5ASRD5A1MAPT
SCHEMBL16792610 0.71 HTR5A (0.41) CRBNDDB1HTR5ASRD5A1AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 WO disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP CRBN 1805/4885DDB1 4549/4885HTR5A 332/4885

“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.