SCHEMBL20357391

SCHEMBL20357391

NC1CCC(Oc2nccc(N3CCOCC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ LRRK2 Q5S007 5/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ SYK P43405 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ OGA O60502 1/20 0.39
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL18615426 1.00 HRH3 (0.48) HRH3LRRK2HRH4MEN1USP2
Hydrochloric Acid SCHEMBL20357392 0.99 HRH3 (0.47) HRH3LRRK2HRH4MEN1USP2
Hydrochloric Acid SCHEMBL20357393 0.99 HRH3 (0.47) HRH3LRRK2HRH4MEN1USP2
SCHEMBL20357279 0.80 MAPK14 (0.45) LRRK2MEN1USP2ALDH1A1CYP1A2
SCHEMBL20357250 0.80 LRRK2 (0.59) LRRK2SYKPIK3CA
SCHEMBL18616062 0.80 LRRK2 (0.59) LRRK2SYKPIK3CA
Hydrochloric Acid SCHEMBL20357364 0.79 LRRK2 (0.58) LRRK2SYKPIK3CA
Hydrochloric Acid SCHEMBL20357362 0.79 LRRK2 (0.58) LRRK2SYKPIK3CA
SCHEMBL18615602 0.77 LRRK2 (0.47) LRRK2SYKPIK3CDPIK3CAACACB
SCHEMBL20357455 0.77 LRRK2 (0.47) LRRK2SYKPIK3CDPIK3CAACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 HRH3 747/4885LRRK2 268/4885HRH4 237/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 HRH3 747/4885LRRK2 268/4885HRH4 237/4885

“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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