SCHEMBL6671435

SCHEMBL6671435

CCCCc1cc(-c2ccc(Cl)cc2Cl)cc2c1OC1CCN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.38
PAK1 Q13153 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 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
SCHEMBL6672991 0.88 MAPK8 (0.39) CNR1ALDH1A1TP53MEN1KMT2A
SCHEMBL6670108 0.86 CNR1 (0.39) CNR1PAK1ALDH1A1MEN1KMT2A
SCHEMBL6667389 0.83 USP30 (0.40) CNR1PAK1TP53KMT2ASMN1; SMN2
SCHEMBL6668708 0.81 CNR1 (0.41) CNR1PAK1ALDH1A1MEN1KMT2A
SCHEMBL6670911 0.75 MARS1 (0.38) CNR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6671975 0.74 SLC6A2 (0.39) KMT2A
SCHEMBL6669036 0.74 MGLL (0.36) CNR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL5847234 0.73 CNR1 (0.41) CNR1PAK1ALDH1A1TP53MEN1
SCHEMBL3080435 0.73 CNR1 (0.42) CNR1PAK1ALDH1A1MEN1KMT2A
SCHEMBL3080431 0.73 CNR1 (0.42) CNR1PAK1ALDH1A1MEN1KMT2A

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
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 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 (2 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A CNR1 36/4885PAK1 1712/4885ALDH1A1 456/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A CNR1 36/4885PAK1 1712/4885ALDH1A1 456/4885

“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.