SCHEMBL3836030

SCHEMBL3836030

CC(C)N(C)c1nc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.60
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
DGAT1 O75907 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
DEGS1 O15121 1/20 0.48
MLLT1 Q03111 1/20 0.44
NAMPT P43490 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3832837 0.83 MCHR1 (0.60) MCHR1MLLT1RAB9A
SCHEMBL3833336 0.80 MCHR1 (0.70) MCHR1RAB9A
SCHEMBL3832829 0.79 MCHR1 (0.59) MCHR1HDAC8HDAC6RAB9A
SCHEMBL3837599 0.78 MCHR1 (0.57) MCHR1NAMPTRAB9A
SCHEMBL13817977 0.77 MCHR1 (0.74) MCHR1RAB9A
SCHEMBL3837969 0.76 MCHR1 (0.68) MCHR1CYP2C9RAB9A
SCHEMBL3870586 0.76 MCHR1 (0.66) MCHR1HDAC3HDAC6RAB9A
SCHEMBL13817984 0.75 MCHR1 (0.75) MCHR1RAB9A
SCHEMBL13818008 0.75 MCHR1 (0.81) MCHR1RAB9A
SCHEMBL13818000 0.75 MCHR1 (1.00) MCHR1

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
EP-1553089-B1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMA CO LTD (JP) 2009-09-30 EP disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD (JP) 2005-10-06 US disclosed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient MC1R, MCHR1, MCHR2 MCHR1 2/4885CYP2D6 760/4885CYP2C9 806/4885

“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.