SCHEMBL1861008

SCHEMBL1861008

COC(=O)N1CCCC1C=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.37
▸ HCRTR2 O43614 5/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36

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
SCHEMBL27731582 0.95 TSHR (0.41) TSHRL3MBTL1
SCHEMBL13532420 0.84 RAB9A (0.43) RAB9AHCRTR2POLBL3MBTL1
SCHEMBL12133179 0.84 RAB9A (0.43) RAB9AHCRTR2POLBL3MBTL1
SCHEMBL190173 0.81 HSD17B10 (0.49) TSHRL3MBTL1
SCHEMBL40804 0.81 HSD17B10 (0.49) TSHRL3MBTL1
SCHEMBL9769216 0.81 RAB9A (0.41) RAB9AHCRTR2
SCHEMBL12018904 0.81 RAB9A (0.41) RAB9AHCRTR2
SCHEMBL338312 0.81 HSD17B10 (0.49) TSHRL3MBTL1
SCHEMBL10054010 0.80 POLB (0.36) TSHRRAB9ADPP4POLBL3MBTL1
SCHEMBL27711007 0.79 ALDH1A1 (0.45) TSHRRAB9AHCRTR2POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 — — US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 — — US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 — — US disclosed
EP-1997813-B1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2010-05-05 — — EP disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 — — US disclosed
EP-1997813-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2008-12-03 — — EP disclosed
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 — — US disclosed
EP-0303269-A2 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 — — 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 (2 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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 TSHR 569/4885RAB9A 985/4885HCRTR2 10/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 TSHR 770/4885RAB9A 1086/4885HCRTR2 20/4885

“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.

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