SCHEMBL3198992

SCHEMBL3198992

C[C@H](c1ccccc1)N1CC2(OCCO2)C(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MC4R P32245 1/20 0.34
MAPK1 P28482 6/20 0.34
FAAH O00519 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL3198988 1.00 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL769095 0.84 HSD11B1 (0.43) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL13483583 0.82 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL3187414 0.74 KMT2A (0.39) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL3187417 0.74 KMT2A (0.39) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL15099815 0.70 HSD11B1 (0.42) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL739714 0.70 HSD11B1 (0.42) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL3190794 0.69 KMT2A (0.44) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL3190789 0.69 KMT2A (0.44) HSD11B1KMT2AALDH1A1CYP2D6HPGD
SCHEMBL4793751 0.69 HSD11B1 (0.41) HSD11B1KMT2AALDH1A1CYP2D6HPGD

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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
EP-0488227-B1 Optically active pyridobenzoxazine derivatives DAIICHI SEIYAKU CO (JP) 1997-02-26 EP disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
US-5463053-A Antimicrobial compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-10-31 US disclosed
EP-0488227-A2 Optically active pyridobenzoxazine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-06-03 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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 HSD11B1 988/4885KMT2A 1054/4885ALDH1A1 937/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 HSD11B1 2049/4885KMT2A 2046/4885ALDH1A1 1938/4885

“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.