SCHEMBL15765656

SCHEMBL15765656

CC(C)C(Nc1ncccn1)C(=O)N1CCCC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.42
▸ DPP4 P27487 3/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ PDE9A O76083 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ ADORA2B P29275 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ VNN1 O95497 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13014790 0.85 PREP (0.41) PREPDPP4DPP8DPP9CYP3A4
SCHEMBL8205696 0.85 MEN1 (0.47) ACE2
SCHEMBL13062430 0.84 MAPT (0.41) PREPDPP4DPP8DPP9CYP3A4
SCHEMBL13014716 0.83 ELANE (0.47) PREP
SCHEMBL8520518 0.83 ELANE (0.44) PREPDPP4HTT
SCHEMBL11982268 0.75 CYP3A4 (0.72) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL4522648 0.74 CYP3A4 (0.52) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18474879 0.74 DPP4 (0.68) PREPDPP4DPP8DPP9CYP3A4
SCHEMBL10144314 0.73 CYP3A4 (0.69) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12159445 0.73 CYP3A4 (0.69) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 — — US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 — — US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 — — US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 — — US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 — — US 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-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PREP 1022/4885DPP4 159/4885DPP8 295/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PREP 1022/4885DPP4 159/4885DPP8 295/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS PREP 1022/4885DPP4 159/4885DPP8 295/4885

“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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