SCHEMBL15944807

SCHEMBL15944807

COC(=O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
GAA P10253 1/20 0.78
TSHR P16473 1/20 0.74
CPB1 P15086 1/20 0.59
EPHX1 P07099 1/20 0.59
DPP4 P27487 5/20 0.54
DPP7 Q9UHL4 5/20 0.54
KCNH2 Q12809 3/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
ACHE P22303 2/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM1A O60341 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL9885094 1.00 ALDH1A1 (0.78) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL7286285 1.00 ALDH1A1 (0.78) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL4204190 0.90 ALDH1A1 (0.74) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL13275989 0.89 ALDH1A1 (0.64) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL12525124 0.89 ALDH1A1 (0.64) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3948461 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL3948456 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL381922 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL2014111 0.88 ALDH1A1 (0.80) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL2014110 0.88 ALDH1A1 (0.80) ALDH1A1GAATSHRCPB1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955181-B1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-10-30 EP disclosed
US-10385052-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL CORPORATION (JP) 2019-08-20 US disclosed
EP-3144309-B1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-08-14 EP disclosed
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-04-12 US disclosed
US-9890165-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-13 US disclosed
US-9890165-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-13 US disclosed
US-9890165-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-13 US disclosed
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 US disclosed
EP-3144309-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2017-03-22 EP disclosed
CN-106459050-A Tricyclic compounds and JAK inhibitors 日产化学工业株式会社 2017-02-22 CN disclosed
US-20170044161-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-16 US disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
EP-2955181-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-12-16 EP disclosed
EP-2955181-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-12-16 EP disclosed
WO-2014123167-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR 日産化学工業株式会社 (JP) 2014-08-14 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 (5 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-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR JAK1, JAK3, JAK2 ALDH1A1 2772/4885GAA 3463/4885TSHR 1371/4885
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR JAK1, JAK2, JAK3 ALDH1A1 3494/4885GAA 4353/4885TSHR 1237/4885
US-10385052-B2 Tricyclic compound and JAK inhibitor JAK1, JAK3, JAK2 ALDH1A1 2746/4885GAA 3582/4885TSHR 1433/4885
US-20170044161-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR JAK1, JAK3, JAK2 ALDH1A1 2635/4885GAA 3410/4885TSHR 1463/4885
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 ALDH1A1 2686/4885GAA 3228/4885TSHR 238/4885

“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.