SCHEMBL5578148

SCHEMBL5578148

O=C(O)c1ccc2c(c1)CNCCC2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
ACHE P22303 1/20 0.49
MELK Q14680 1/20 0.45
KDM1A O60341 1/20 0.44
SYK P43405 1/20 0.43
SRD5A2 P31213 2/20 0.42
SRD5A1 P18405 1/20 0.42
PNMT P11086 1/20 0.42

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
Hydrochloric Acid SCHEMBL7850413 0.98 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTACHEMELK
SCHEMBL1026913 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMELKPNMT
SCHEMBL29589725 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMELKPNMT
Hydrochloric Acid SCHEMBL15671006 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMELKPNMT
SCHEMBL1026101 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMELKPNMT
SCHEMBL30428318 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMELKPNMT
SCHEMBL383984 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL30831371 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL12486922 0.81 MELK (0.44) ALDH1A1ACHEMELKSYKSRD5A2
Hydrochloric Acid SCHEMBL22654009 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMELKPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
EP-2742039-B1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
US-8871756-B2 Compounds for the treatment and prophylaxis of Respiratory Syncytial Virus disease HOFFMANN-LA ROCHE INC. (US) 2014-10-28 US disclosed
EP-2742039-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2014-06-18 EP disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 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 (4 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-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL ALDH1A1 2189/4885KDM4E 3397/4885MAPT 4392/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885KDM4E 4438/4885MAPT 2628/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR ALDH1A1 3946/4885KDM4E 4438/4885MAPT 2628/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ALDH1A1 2561/4885KDM4E 2148/4885MAPT 4394/4885

“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.