SCHEMBL5064808

SCHEMBL5064808

O=C(NN1CCCCCC1)c1ccc2c(c1)N=C(c1cccc(F)c1)c1ccccc1S2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.64
CNR2 P34972 3/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 3/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5062860 1.00 CNR1 (0.64) CNR1CNR2MEN1KMT2ATP53
SCHEMBL14206057 0.99 CNR1 (0.62) CNR1CNR2MEN1KMT2ATP53
SCHEMBL14206109 0.91 CNR1 (0.53) CNR1CNR2MEN1KMT2ATP53
SCHEMBL5062820 0.91 CNR1 (0.66) CNR1CNR2MEN1KMT2ATP53
SCHEMBL5058694 0.91 CNR1 (0.66) CNR1CNR2MEN1KMT2ATP53
SCHEMBL5054094 0.91 CNR1 (0.71) CNR1CNR2MEN1KMT2ATP53
SCHEMBL14043781 0.90 CNR1 (0.65) CNR1CNR2MEN1KMT2ATP53
SCHEMBL5058668 0.89 CNR1 (0.65) CNR1CNR2MEN1KMT2ATP53
SCHEMBL14206245 0.89 CNR1 (0.65) CNR1CNR2MEN1KMT2ATP53
SCHEMBL5058686 0.89 CNR1 (0.64) CNR1CNR2MEN1KMT2ATP53

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
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-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

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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885MEN1 4178/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885MEN1 4178/4885

“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.