SCHEMBL10054587

SCHEMBL10054587

CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
S1PR5 Q9H228 3/20 0.45
S1PR1 P21453 1/20 0.45
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
KCNA3 P22001 1/20 0.42
BCHE P06276 2/20 0.42
JAK1 P23458 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL146562 1.00 KMT2A (0.54) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL122155 1.00 KMT2A (0.54) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL16090749 0.90 KMT2A (0.54) KMT2AL3MBTL1NPFFR1NPFFR2DRD2
SCHEMBL19121559 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL7834998 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL1781856 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL3187533 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL3187519 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL7835003 0.89 KMT2A (0.55) KMT2AL3MBTL1S1PR5S1PR1NPFFR1
SCHEMBL19121534 0.88 KMT2A (0.54) KMT2AL3MBTL1S1PR5S1PR1NPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708357-B2 Crystal form of pyrrolidinyl urea derivative and application thereof ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2023-07-25 US disclosed
WO-2021139794-A1 CRYSTAL FORM OF PYRROLIDINYL UREA DERIVATIVE AND APPLICATION THEREOF 漳州片仔癀药业股份有限公司 2021-07-15 WO disclosed
US-20210147436-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2021-05-20 US disclosed
EP-3822266-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2021-05-19 EP disclosed
WO-2020011227-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES 南京明德新药研发有限公司 2020-01-16 WO disclosed
EP-2435037-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-8497383-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-30 US disclosed
US-8497383-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-30 US disclosed
US-20120142752-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-06-07 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-11708357-B2 Crystal form of pyrrolidinyl urea derivative and application thereof NGF, LCK, RET KMT2A 3826/4885L3MBTL1 3565/4885S1PR5 2115/4885
US-20210147436-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES NGF, RET, NTRK1 KMT2A 3479/4885L3MBTL1 4302/4885S1PR5 3468/4885
US-20120142752-A1 HIV PROTEASE INHIBITORS SERPINB1, PRSS1, SERPINB6 KMT2A 1805/4885L3MBTL1 806/4885S1PR5 4177/4885

“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.