SCHEMBL3748595

SCHEMBL3748595

CCN(CC)CCCN(C)c1nc2ccc(N)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KEAP1 Q14145 1/20 0.43
TMPRSS15 P98073 2/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39

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 SCHEMBL3746728 0.99 CYP1A2 (0.51) LMNACYP1A2CYP2D6SMN1; SMN2KEAP1
SCHEMBL3744447 0.92 LMNA (0.52) LMNACYP1A2CYP2D6SMN1; SMN2KEAP1
SCHEMBL4643602 0.88 SMN1; SMN2 (0.49) SMN1; SMN2KEAP1TMPRSS15MAPTKDM4E
SCHEMBL3752321 0.82 SMN1; SMN2 (0.51) LMNASMN1; SMN2KEAP1TMPRSS15MAPT
Hydrochloric Acid SCHEMBL3753726 0.81 SMN1; SMN2 (0.50) CYP1A2CYP2D6SMN1; SMN2KEAP1MAPT
SCHEMBL3748709 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KEAP1TMPRSS15MAPTKDM4E
SCHEMBL23965817 0.79 SMN1; SMN2 (0.48) LMNACYP1A2CYP2D6SMN1; SMN2KEAP1
SCHEMBL19326467 0.77 MAPT (0.51) LMNASMN1; SMN2KEAP1TMPRSS15MAPT
SCHEMBL3748799 0.76 SMN1; SMN2 (0.44) LMNASMN1; SMN2KEAP1TMPRSS15MAPT
SCHEMBL30123601 0.76 HTT (0.65) LMNACYP1A2CYP2D6SMN1; SMN2KEAP1

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 6 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 claimed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
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 LMNA 3624/4885CYP1A2 1288/4885CYP2D6 1651/4885

“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.