SCHEMBL4423590

SCHEMBL4423590

O=C(CCn1ccnc1-c1ccccc1)NCCN1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ PDE6D O43924 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35

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
SCHEMBL4428545 0.91 ALDH1A1 (0.40) LMNAL3MBTL1MEN1MAPTKMT2A
SCHEMBL4417933 0.83 ESR1 (0.47) ESR1PDE6DMEN1MAPTKMT2A
SCHEMBL4417234 0.82 LMNA (0.39) LMNAL3MBTL1MEN1MAPTKMT2A
SCHEMBL4416267 0.82 LMNA (0.38) LMNAL3MBTL1MEN1MAPTKMT2A
SCHEMBL4422983 0.76 ESR1 (0.55) ESR1MEN1KMT2AHTR7BCHE
SCHEMBL4423588 0.76 ESR1 (0.42) ESR1LMNAL3MBTL1MEN1MAPT
SCHEMBL2116079 0.75 MEN1 (0.49) LMNAL3MBTL1MEN1MAPTKMT2A
SCHEMBL4419294 0.75 MAPT (0.57) LMNAMEN1MAPTKMT2AHTR7
SCHEMBL4423130 0.75 ACHE (0.57) ESR1LMNAL3MBTL1KMT2AHTR7
SCHEMBL4415467 0.74 HTR1A (0.51) ESR1LMNAMEN1KMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 — — US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 — — US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 — — US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 — — 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 ESR1 4432/4885PDE6D 931/4885LMNA 936/4885

“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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