SCHEMBL90002

SCHEMBL90002

COCC[C@@H](N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 0.48
TACR1 P25103 2/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL90024 1.00 SCN4A (0.48) SCN4ATACR1DPP4F2HPGD
SCHEMBL19312226 1.00 SCN4A (0.48) SCN4ATACR1DPP4F2HPGD
Hydrochloric Acid SCHEMBL7609765 0.98 SCN4A (0.47) SCN4ATACR1DPP4F2HPGD
Hydrochloric Acid SCHEMBL15264355 0.98 SCN4A (0.47) SCN4ATACR1DPP4F2HPGD
SCHEMBL791984 0.84 SCN4A (0.61) SCN4ATACR1
SCHEMBL57799 0.84 SCN4A (0.61) SCN4ATACR1
SCHEMBL1419721 0.84 SCN4A (0.61) SCN4ATACR1
Hydrochloric Acid SCHEMBL7757109 0.83 SCN4A (0.59) SCN4ATACR1
Hydrochloric Acid SCHEMBL56787 0.83 SCN4A (0.59) SCN4ATACR1
Hydrochloric Acid SCHEMBL22229209 0.83 SCN4A (0.59) SCN4ATACR1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
CN-107074887-B Substituted dihydropyrrolopyrazoles 宇部兴产株式会社 2020-12-22 CN disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 US disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
WO-2017188358-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE 宇部興産株式会社 2017-11-02 WO disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
WO-2017188357-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR DOSING IN COMBINATION WITH OTHER PSORIASIS TREATMENT DRUG 宇部興産株式会社 2017-11-02 WO disclosed
WO-2017188369-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF ATOPIC DERMATITIS 宇部興産株式会社 2017-11-02 WO disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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 (6 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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 SCN4A 239/4885TACR1 1879/4885DPP4 57/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 SCN4A 1452/4885TACR1 140/4885DPP4 436/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 SCN4A 239/4885TACR1 1879/4885DPP4 57/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 SCN4A 228/4885TACR1 2050/4885DPP4 46/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF SCN4A 3765/4885TACR1 252/4885DPP4 562/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 SCN4A 2074/4885TACR1 207/4885DPP4 1082/4885

“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.