SCHEMBL7305417

SCHEMBL7305417

[NH]CCC(=O)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.63
EPHX1 P07099 7/20 0.57
KMT2A Q03164 1/20 0.57
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NCOR2 Q9Y618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
EPHX2 P34913 2/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL10587847 0.87 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL8394299 0.83 EPHX1 (0.61) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL7302572 0.83 EPHX1 (0.61) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL9337868 0.83 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL28668503 0.83 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL6002710 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL6002877 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL6003255 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL38658755 0.81 SMN1; SMN2 (0.91) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A
SCHEMBL6003252 0.81 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDEPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0581166-A1 Benzimidazoles, process for their preparation and their use as angiotensin-II antagonists Dr. Karl Thomae GmbH (DE) 1994-02-02 EP disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 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 (1 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B SMN1; SMN2 4469/4885ALDH1A1 3278/4885HPGD 781/4885

“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.