SCHEMBL5057212

SCHEMBL5057212

O=C(NN1CCCCC1)c1ccc2c(c1)N=C(Cl)c1ccccc1S2

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.73
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CNR2 P34972 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
PLEC Q15149 1/20 0.44

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
Hydrochloric Acid SCHEMBL5054136 0.99 CNR1 (0.72) CNR1MEN1KMT2ACNR2HTT
SCHEMBL5057264 0.90 CNR1 (0.60) CNR1MEN1KMT2ACNR2TP53
SCHEMBL14043803 0.88 CNR1 (0.68) CNR1MEN1KMT2ACNR2HTT
SCHEMBL14206182 0.88 CNR1 (0.68) CNR1MEN1KMT2ACNR2HTT
SCHEMBL14513434 0.87 CNR1 (0.67) CNR1MEN1KMT2ACNR2TP53
SCHEMBL5057567 0.87 CNR1 (0.69) CNR1MEN1KMT2AHTTTP53
SCHEMBL5062721 0.86 CNR1 (0.72) CNR1MEN1KMT2ACNR2HTT
SCHEMBL14205956 0.86 CNR1 (0.66) CNR1MEN1KMT2ACNR2TP53
SCHEMBL5057268 0.86 CNR1 (0.66) CNR1MEN1KMT2ACNR2TP53
SCHEMBL14043685 0.86 CNR1 (0.68) CNR1MEN1KMT2ACNR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO disclosed
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 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 (3 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 CNR1 4354/4885MEN1 554/4885KMT2A 1534/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885MEN1 4178/4885KMT2A 3357/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885MEN1 4178/4885KMT2A 3357/4885

“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.