SCHEMBL18094474

SCHEMBL18094474

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3nc(-c4ccccn4)ns3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ATR Q13535 1/20 0.47
▸ GPR119 Q8TDV5 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KIT P10721 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ TXK P42681 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ ESRRB O95718 1/20 0.43

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
SCHEMBL18094517 0.91 ABL1 (0.49) MEN1KMT2AATRGPR119KDM4E
SCHEMBL18094524 0.86 ALDH1A1 (0.49) HTTKMT2AGPR119MAPTALDH1A1
SCHEMBL18094481 0.86 USP30 (0.53) NPSR1MEN1KMT2AGPR119MAPT
SCHEMBL31361482 0.86 ADORA3 (0.59) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL18094509 0.84 GPR119 (0.47) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL18094468 0.82 LRRK2 (0.60) SMN1; SMN2MAPTALDH1A1
SCHEMBL3777219 0.82 FAAH (0.51) GPR119
SCHEMBL18094515 0.81 ADORA3 (0.48) TSHRALDH1A1
SCHEMBL18094580 0.79 GPR119 (0.46) SMN1; SMN2HTTNPSR1GPR119MAPT
SCHEMBL2355543 0.79 LRRK2 (0.67) SMN1; SMN2HTTMEN1KMT2ACYP2C19

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-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US claimed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US claimed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — US claimed
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 — — US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 — — US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 — — 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 (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-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 SMN1; SMN2 2168/4885HTT 283/4885NPSR1 1364/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 SMN1; SMN2 2168/4885HTT 283/4885NPSR1 1364/4885

“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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