SCHEMBL7843971

SCHEMBL7843971

CCC(C)OC(=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HPGD P15428 1/20 0.38
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSH P09668 2/20 0.37
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL2986132 1.00 LMNA (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2988848 1.00 LMNA (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2984192 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2987876 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2980853 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2987026 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2240092 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2984985 0.96 HPGD (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2991371 0.96 HPGD (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL10321883 0.96 HPGD (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
WO-2011084848-A2 PRODRUGS OF HETERAROMATIC COMPOUNDS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2010151689-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2010-12-29 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L LMNA 2901/4885ALDH1A1 113/4885SMN1; SMN2 3665/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L LMNA 2901/4885ALDH1A1 113/4885SMN1; SMN2 3665/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE LMNA 1349/4885ALDH1A1 599/4885SMN1; SMN2 673/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 LMNA 2642/4885ALDH1A1 1082/4885SMN1; SMN2 606/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE LMNA 1349/4885ALDH1A1 599/4885SMN1; SMN2 673/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE LMNA 1349/4885ALDH1A1 599/4885SMN1; SMN2 673/4885

“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.