SCHEMBL5057201

SCHEMBL5057201

O=C(c1ccc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1S2)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CNR1 P21554 6/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 4/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
STAT1 P42224 1/20 0.46
CNR2 P34972 1/20 0.46
GRM2 Q14416 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5058781 0.92 MEN1 (0.61) MEN1KMT2ACNR1NPC1TP53
SCHEMBL5057283 0.90 CNR1 (0.63) MEN1KMT2ACNR1NPC1TP53
SCHEMBL5062833 0.88 KMT2A (0.59) MEN1KMT2ACNR1NPC1TP53
SCHEMBL5058694 0.85 CNR1 (0.66) MEN1KMT2ACNR1TP53CNR2
SCHEMBL5062820 0.85 CNR1 (0.66) MEN1KMT2ACNR1TP53CNR2
SCHEMBL5057587 0.84 CNR1 (0.61) MEN1KMT2ACNR1NPC1TP53
SCHEMBL14043781 0.84 CNR1 (0.65) MEN1KMT2ACNR1TP53CNR2
SCHEMBL5063069 0.83 KMT2A (0.63) MEN1KMT2ACNR1NPC1TP53
SCHEMBL14043940 0.83 KMT2A (0.53) MEN1KMT2ACNR1NPC1TP53
SCHEMBL13808030 0.81 CNR1 (0.65) MEN1KMT2ACNR1TP53POLB

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 MEN1 4178/4885KMT2A 3357/4885CNR1 1/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH MEN1 4178/4885KMT2A 3357/4885CNR1 1/4885

“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.