SCHEMBL3754820

SCHEMBL3754820

CC(=O)N1CCC(CN(C)c2nc3ccc(N)cc3s2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GFER P55789 1/20 0.39
BRD4 O60885 1/20 0.39
NR1D1 P20393 1/20 0.38
MAPT P10636 5/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.36
SHMT2 P34897 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL3756208 0.85 SMN1; SMN2 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3753824 0.84 SMN1; SMN2 (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3750553 0.82 SMN1; SMN2 (0.39) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3751239 0.82 SMN1; SMN2 (0.38) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10373069 0.79 RAB9A (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21638265 0.76 MAPT (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13054181 0.75 NR1D1 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3749077 0.75 SMN1; SMN2 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3754819 0.74 PARP1 (0.35) BRD4NR1D1CHEK2
SCHEMBL3748799 0.72 SMN1; SMN2 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 1154/4885NPC1 689/4885MEN1 550/4885

“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.