SCHEMBL3756442

SCHEMBL3756442

CNCCCN(C)c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.56
PTK2 Q05397 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP1A2 P05177 2/20 0.40
HIF1A Q16665 1/20 0.40
SYK P43405 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9697066 0.92 NCF1 (0.58) NCF1PTK2OPRM1OPRK1TMEM97
SCHEMBL5943623 0.82 NCF1 (0.58) NCF1PTK2CYP1A2HIF1ASYK
SCHEMBL6602159 0.81 NCF1 (0.61) NCF1PTK2OPRM1OPRK1TMEM97
SCHEMBL5911169 0.80 NCF1 (0.63) NCF1PTK2KMT2ACYP1A2HIF1A
Iodide SCHEMBL28842235 0.74 NCF1 (0.56) NCF1PTK2NPC1POLBRAB9A
SCHEMBL31650826 0.73 NCF1 (1.00) NCF1PTK2NPC1SLC2A1RAB9A
SCHEMBL12383278 0.73 NCF1 (0.76) NCF1PTK2NPC1RAB9AKMT2A
SCHEMBL29946313 0.73 NCF1 (1.00) NCF1PTK2NPC1SLC2A1RAB9A
SCHEMBL4263734 0.73 NCF1 (1.00) NCF1PTK2NPC1SLC2A1RAB9A
SCHEMBL5943479 0.72 NCF1 (0.59) NCF1NPC1RAB9ACYP1A2HPGD

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 5 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
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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 (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 NCF1 2530/4885PTK2 4491/4885OPRM1 58/4885

“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.