SCHEMBL3682800

SCHEMBL3682800

O=C(NC1CCCCC1)c1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ACKR3 P25106 1/20 0.49
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.45
RAB9A P51151 3/20 0.45
CNR1 P21554 1/20 0.44
NPC1 O15118 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 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
SCHEMBL11878066 0.98 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1ACKR3ALDH1A1GAA
SCHEMBL2962867 0.92 SMYD3 (0.49) SMN1; SMN2L3MBTL1ACKR3ALDH1A1GAA
SCHEMBL19710364 0.84 SMYD3 (0.61) SMN1; SMN2L3MBTL1
SCHEMBL21489887 0.84 SMYD3 (0.61) SMN1; SMN2L3MBTL1
SCHEMBL4435015 0.81 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1ACKR3HTTMEN1
SCHEMBL19710371 0.79 SMYD3 (0.60)
SCHEMBL28132511 0.76 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1ALDH1A1GAAHTT
SCHEMBL2425813 0.75 JAK3 (0.47) SMN1; SMN2ACKR3ALDH1A1RAB9ANPC1
SCHEMBL9651228 0.74 SIGMAR1 (0.61) L3MBTL1ACKR3CYP1A2CYP2C19CYP3A4
SCHEMBL28133337 0.74 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1GAAHTT

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
US-7763607-B2 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2010-07-27 US disclosed
CN-101431998-A Containing CBxPharmaceutical compositions of cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-01 US disclosed
US-4542139-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-17 US disclosed
US-4379785-A Heterocyclic substituted sulfonyl ureas, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
US-4379153-A Benzenesulfonyl ureas, and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-05 US disclosed
US-4325963-A ANTIDIABETIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
US-4315940-A Antidiabetic 1-piperidine-sulfonylureas HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4282239-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
US-4157395-A TREATMENT OF DIABETES HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-05 US disclosed
US-4132795-A Benzenesulfonyl ureas and their use for the treatment of diabetes mellitus HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-02 US disclosed
US-4025519-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-24 US disclosed
US-3962244-A LOWERING OF BLOOD-SUGAR LEVELS HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-08 US 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-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators CNR1, CNR2, KCNJ11 SMN1; SMN2 2885/4885L3MBTL1 4854/4885ACKR3 2123/4885

“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.