SCHEMBL5832037

SCHEMBL5832037

CCCOc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.69
AVPR2 P30518 14/20 0.69
OXTR P30559 1/20 0.67

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
SCHEMBL5832320 0.89 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL5832232 0.82 AVPR1A (1.00) AVPR1AAVPR2OXTR
SCHEMBL3571243 0.73 AVPR1A (0.82) AVPR1AAVPR2OXTR
SCHEMBL5832812 0.73 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL5831620 0.73 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL5832848 0.72 AVPR2 (0.71) AVPR1AAVPR2
SCHEMBL15228167 0.70 TSHR (0.57)
SCHEMBL27530845 0.70 SMN1; SMN2 (0.79) AVPR1AAVPR2OXTR
SCHEMBL5117349 0.70 AVPR1A (0.71) AVPR1AAVPR2OXTR
SCHEMBL931837 0.70 AVPR1A (0.76) AVPR1AAVPR2OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084164-B2 Triazole derivative ASTELLAS PHARMA, INC. (JP) 2006-08-01 US disclosed
US-7034047-B2 Triazole derivative ASTELLAS PHARMA, INC. (JP) 2006-04-25 US disclosed
US-20060025461-A1 Triazole derivative ASTELLAS PHARMA INC. 2006-02-02 US disclosed
CN-1237055-C Triazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 2006-01-18 CN disclosed
US-20040214818-A1 Triazole derivative YAMANOUCHI PHARMACEUTICAL CO., LTD., MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2004-10-28 US disclosed
US-20030216385-A1 Triazole derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
CN-1429215-A Triazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 2003-07-09 CN 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 (3 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-20040214818-A1 Triazole derivative SLC18A3, SLC6A3, SLC18A2 AVPR1A 1088/4885AVPR2 898/4885OXTR 1376/4885
US-20030216385-A1 Triazole derivatives SLC18A3, SLC18A2, SLC6A3 AVPR1A 1049/4885AVPR2 926/4885OXTR 1389/4885
US-20060025461-A1 Triazole derivative SLC18A3, SLC6A3, SLC18A2 AVPR1A 1088/4885AVPR2 898/4885OXTR 1376/4885

“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.