SCHEMBL1911099

SCHEMBL1911099

C[C@@H](c1ccccc1)C(C)(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
RIPK1 Q13546 2/20 0.43
ADRA2C P18825 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ADRA2A P08913 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CHRM2 P08172 2/20 0.41
ADRA1A P35348 2/20 0.41
AOC3 Q16853 1/20 0.41
CACNA1F O60840 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1471159 1.00 SLC6A4 (0.45) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL12574668 1.00 SLC6A4 (0.45) SLC6A4RIPK1ADRA2CKDM4ELMNA
Acetic Acid SCHEMBL27497152 0.91 CYP2D6 (0.41) SLC6A4LMNACYP2D6MEN1KMT2A
SCHEMBL3367523 0.81 ADRA2A (0.45) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL21740964 0.81 SLC6A4 (0.42) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL9360478 0.81 RIPK1 (0.45) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL28600445 0.79 CYP2D6 (0.42) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL416895 0.79 TAAR1 (0.50) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL18470550 0.79 TAAR1 (0.50) SLC6A4RIPK1ADRA2CKDM4ELMNA
SCHEMBL14431333 0.79 TAAR1 (0.50) SLC6A4RIPK1ADRA2CKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-9546168-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-17 US disclosed
US-9546168-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-17 US disclosed
US-20160311819-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
US-20160311819-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 (9 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 SLC6A4 714/4885RIPK1 4389/4885ADRA2C 27/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 SLC6A4 3913/4885RIPK1 1464/4885ADRA2C 1852/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 SLC6A4 2587/4885RIPK1 2609/4885ADRA2C 2053/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 SLC6A4 4432/4885RIPK1 2317/4885ADRA2C 3407/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 SLC6A4 3913/4885RIPK1 1464/4885ADRA2C 1852/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 SLC6A4 1085/4885RIPK1 2232/4885ADRA2C 4388/4885
US-20160311819-A1 ERK INHIBITORS MAPK1, MAPK10, MAPK3 SLC6A4 3602/4885RIPK1 3514/4885ADRA2C 1305/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 SLC6A4 3913/4885RIPK1 1464/4885ADRA2C 1852/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 SLC6A4 4001/4885RIPK1 1806/4885ADRA2C 2098/4885

“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.