SCHEMBL1764566

SCHEMBL1764566

CC(=O)N1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
EPHX2 P34913 2/20 0.41
MAPT P10636 2/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL28055168 0.87 HRH3 (0.77) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL310852 0.85 HRH3 (0.60) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL11904378 0.85 HPGD (0.66) HRH3HPGDSMN1; SMN2KMT2ARECQL
SCHEMBL25217807 0.84 HRH3 (0.59) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL30734430 0.84 HRH3 (0.59) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL4055980 0.81 HRH3 (0.55) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL10274867 0.81 HRH3 (0.55) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL29267709 0.81 HRH3 (0.56) HRH3HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL8947891 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TSHREPHX2MAPT
SCHEMBL4034044 0.80 GAA (0.61) HRH3HPGDKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 EP disclosed
WO-2019031618-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE 大正製薬株式会社 2019-02-14 WO disclosed
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2018-11-20 US disclosed
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS (FR) 2014-06-12 US disclosed
US-8703747-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2014-04-22 US disclosed
WO-2014044849-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 WO disclosed
US-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS 2011-05-26 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-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 HRH3 2/4885HPGD 2728/4885SMN1; SMN2 1672/4885
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain OPRM1, HRH3, HRH4 HRH3 2/4885HPGD 2901/4885SMN1; SMN2 1568/4885
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 HRH3 2/4885HPGD 2901/4885SMN1; SMN2 1568/4885

“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.