SCHEMBL15867253

SCHEMBL15867253

CC(NCCCC(C)(C)[Si](C)(C)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ SMPD1 P17405 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ CASR P41180 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL14103840 0.79 GRIN1 (0.54) KMT2AALDH1A1SMN1; SMN2MEN1RIPK1
SCHEMBL10779809 0.77 CYP3A4 (0.70) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL5461331 0.77 CYP3A4 (0.70) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL1101513 0.77 CYP3A4 (0.70) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL15867276 0.76 ARG1 (0.31) ALDH1A1
SCHEMBL15867230 0.75 ALDH1A1 (0.52) CYP3A4LMNACYP1A2CYP2C19HTT
Hydrochloric Acid SCHEMBL1087171 0.75 KMT2A (0.71) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL17282130 0.74 CYP3A4 (0.61) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL13965852 0.74 CYP3A4 (0.61) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL11421702 0.74 LMNA (0.61) CYP3A4LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 — — US disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 — — WO disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 — — 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 (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-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE TPMT, XDH, DPYD CYP3A4 127/4885LMNA 3297/4885CHRM2 3889/4885

“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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