SCHEMBL14690752

SCHEMBL14690752

O=C(O)NC1CN(Cc2ccccc2)CC12COC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ FUCA1 P04066 2/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ ARG1 P05089 1/20 0.39
▸ ARG2 P78540 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ SCN4A P35499 1/20 0.38

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
SCHEMBL19613995 0.88 DRD4 (0.44) DRD4SIGMAR1S1PR1S1PR5L3MBTL1
SCHEMBL19613994 0.88 DRD4 (0.44) DRD4SIGMAR1S1PR1S1PR5L3MBTL1
SCHEMBL12492527 0.86 DRD4 (0.42) DRD4SIGMAR1S1PR1S1PR5L3MBTL1
SCHEMBL15147400 0.84 KMT2A (0.48) SIGMAR1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL14690713 0.75 SIGMAR1 (0.42) SIGMAR1FUCA1ARG1ARG2ALDH1A1
SCHEMBL31598442 0.75 NPY2R (0.42) DRD4SIGMAR1S1PR1S1PR5KMT2A
SCHEMBL14691034 0.73 MAPT (0.48) SIGMAR1FUCA1KMT2AALDH1A1MEN1
SCHEMBL9245843 0.72 KMT2A (0.51) SIGMAR1L3MBTL1DRD2KMT2AALDH1A1
SCHEMBL8775660 0.72 KMT2A (0.51) SIGMAR1L3MBTL1DRD2KMT2AALDH1A1
SCHEMBL1907944 0.71 S1PR1 (0.55) DRD4SIGMAR1S1PR1S1PR5L3MBTL1

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 6 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

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-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL DRD4 1817/4885SIGMAR1 1878/4885S1PR1 223/4885

“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.

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