SCHEMBL6720086

SCHEMBL6720086

N=C(N)N1CCc2c[c]ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
TMPRSS2 O15393 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
TSHR P16473 3/20 0.36
NOTUM Q6P988 5/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL1165734 0.77 NOTUM (0.60) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL6769133 0.75 SIGMAR1 (0.72) SIGMAR1TMPRSS2HTR1AADRA2ACYP2D6
Hydrochloric Acid SCHEMBL8068550 0.74 SIGMAR1 (0.70) SIGMAR1TMPRSS2HTR1AADRA2ACYP2D6
SCHEMBL4190832 0.73 CA12 (0.52) TSHRNOTUMNPC1RAB9AALDH1A1
SCHEMBL698549 0.73 TSHR (0.63) TSHRCNR2LMNARAB9AALDH1A1
SCHEMBL6714690 0.72 GAA (0.53) SIGMAR1TSHRNOTUMLMNANPC1
SCHEMBL697671 0.72 HPGD (0.68) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL20914962 0.70 GPR119 (0.43) NOTUMNPC1RAB9AL3MBTL1
SCHEMBL1419127 0.69 MAPT (0.34) CYP2D6MAOATSHRNOTUMPMP22
SCHEMBL6228834 0.68 NOTUM (0.62) TSHRNOTUMLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-20230310358-A1 Compositions And Methods For Treating Autism YAMO PHARMACEUTICALS LLC (US) 2023-10-05 US disclosed
US-20220211650-A1 SUSTAINED RELEASE FORMULATIONS HOFFMAN TECHNOLOGIES LLC 2022-07-07 US disclosed
EP-3955910-A1 SUSTAINED RELEASE FORMULATIONS Hoffman Technologies LLC. (US) 2022-02-23 EP disclosed
US-20210338619-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM YAMO PHARMACEUTICALS LLC 2021-11-04 US disclosed
EP-3823626-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM Yamo Pharmaceuticals LLC (US) 2021-05-26 EP disclosed
EP-3823593-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM Yamo Pharmaceuticals LLC (US) 2021-05-26 EP disclosed
US-20210128508-A1 Compositions And Methods For Treating Autism YAMO PHARMACEUTICALS LLC (US) 2021-05-06 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 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 (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-20230310358-A1 Compositions And Methods For Treating Autism MECP2, AADAT, CHAT SIGMAR1 2834/4885TMPRSS2 3409/4885HTR1A 75/4885
US-20220211650-A1 SUSTAINED RELEASE FORMULATIONS TH, PAH, COMT SIGMAR1 245/4885TMPRSS2 1596/4885HTR1A 122/4885
US-20210338619-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM MECP2, AADAT, CHAT SIGMAR1 2831/4885TMPRSS2 3492/4885HTR1A 69/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH SIGMAR1 2218/4885TMPRSS2 1373/4885HTR1A 1948/4885
US-20210128508-A1 Compositions And Methods For Treating Autism MECP2, AADAT, CHAT SIGMAR1 2834/4885TMPRSS2 3409/4885HTR1A 75/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH SIGMAR1 1779/4885TMPRSS2 952/4885HTR1A 1663/4885

“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.